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| CAS Number | 118090-09-8 |
| Catalog Number | AG009KHV(AGN-PC-0N6KIX) |
| Chemical Name | 2-Mercaptobenzothiazole |
| EC Number | 205-736-8 |
| IUPAC Name | 3H-1,3-benzothiazole-2-thione |
| InChI | InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) |
| InChI Key | YXIWHUQXZSMYRE-UHFFFAOYSA-N |
| MDL Number | MFCD00005781 |
| Molecular Formula | C7H5NS2 |
| Molecular Weight | 167.2513 |
| NSC Number | 2041 |
| RTECS Number | DL6475000 |
| SMILES | SC1=NC2=CC=CC=C2S1 |
| UNII | 5RLR54Z22K |
| Synonyms | 2-mercaptobenzothiazole,
2-thiobenzothiazole,
captax,
captax, bismuth(+3) salt,
captax, cobalt(+2) salt,
captax, copper(+2) salt,
captax, lead(+2) salt,
captax, mercury (+2) salt,
captax, potassium salt,
captax, silver(+1) salt,
captax, sodium salt,
captax, zinc salt,
mebetizol,
2-Mercaptobenzothiazole,
149-30-4,
2-Benzothiazolethiol,
Captax,
Benzothiazolethiol,
Benzo[d]thiazole-2-thiol,
1,3-Benzothiazole-2-thiol,
2(3H)-Benzothiazolethione,
Benzothiazole-2-thiol,
Benzo[d]thiazole-2(3H)-thione,
Rotax,
Accelerator M,
MERCAPTOBENZOTHIAZOLE,
Dermacid,
Sulfadene,
Kaptax,
Mertax,
Thiotax,
Rokon,
Vulkacit M,
Ekagom G,
Accel M,
2-MBT,
Mebetizole,
Mebithizol,
Kaptaks,
Nuodeb 84,
Soxinol M,
Vulkacit Mercapto,
Pneumax MBT,
2-Mercaptobenzthiazole,
Royal MBT,
Mercaptobenzothiazol,
Mercaptobenzthiazole,
Vulkacit Mercapto/C,
2-Mercptobenzothiazole,
Pennac mbt powder,
Benzothiazole-2-thione,
2-Benzothiazolinethione,
mebetizol,
Nuodex 84,
Usaf gy-3,
118090-09-8,
Nocceler M,
Usaf xr-29,
MBT,
Benzothiazole, mercapto-,
2-Benzothiazolyl mercaptan,
2-Merkaptobenzotiazol,
2-Merkaptobenzthiazol,
AG 63,
Perkacit MBT,
1,3-Benzothiazol-2-yl hydrosulfide,
Kaptax [Czech],
2-thiobenzothiazole,
Mercaptobenzothiazole (VAN),
Caswell No. 541,
benzothiazolyl mercaptan,
2-Mercapto benzothiazole,
pennac mbt,
CHEBI:34292,
Thiot ax,
NCI-C56519,
UNII-5RLR54Z22K,
2-benzothiazolthiol,
Accelerator mercapto,
C7H5NS2,
CCRIS 891,
Bantex,
2-Merkaptobenzthiazol [Czech],
2-sulfanyl-1,3-benzothiazole,
2-Merkaptobenzotiazol [Polish],
3H-1,3-benzothiazole-2-thione,
HSDB 4025,
2-Mercaptobenzothioazole,
2-mercapto-benzothiazole,
captax, zinc salt,
NSC 2041,
EINECS 205-736-8,
captax, sodium salt,
EPA Pesticide Chemical Code 051701,
2-Mercaptobenzothiazole, 97%,
AI3-00985,
5RLR54Z22K,
2-Mercaptobenzothiazole (in liquid mixtures),
NSC2041,
YXIWHUQXZSMYRE-UHFFFAOYSA-N,
MFCD00005781,
NCGC00091643-07,
NCGC00091643-08,
DSSTox_CID_807,
DSSTox_RID_75799,
DSSTox_GSID_20807,
3-hydrobenzothiazole-2-thione,
2-Mercaptobenzothiazole, 95%,
2(3H)-Benzothiazolethione, potassium salt,
CAS-149-30-4,
captax, potassium salt,
captax, lead(+2) salt,
captax, cobalt(+2) salt,
captax, copper(+2) salt,
captax, silver(+1) salt,
captax, bismuth(+3) salt,
captax, mercury (+2) salt,
Drmacid,
thiotax(tm),
rokon(r),
MBT, captax,
mercapto-benzothiazole,
mercaptobenzothiazole;,
2-Benzothiazolethione,
2-mercaptobenzothiazol,
2-mercapto-benzthiazole,
PubChem20577,
Spectrum_001669,
2-Mercaptobenzothiazolyl,
SpecPlus_000728,
2-thiocarbamidothiophenol,
AC1LF5KF,
AC1Q7FDD,
57948-09-1,
Spectrum2_001666,
Spectrum3_001665,
Spectrum4_000628,
Spectrum5_001400,
mercapto(2-)benzothiazole,
benzo[d]thiazole-2-thione,
Epitope ID:116044,
EC 205-736-8,
Benzothiazole, 2-mercapto-,
ACMC-1C6V5,
SCHEMBL23237,
1,3-Benzothiazole-2-thione,
BSPBio_003449,
KBioGR_001216,
KBioSS_002149,
KSC159S8T,
BIDD:ER0373,
DivK1c_006824,
SPECTRUM1504225,
SPBio_001851,
CHEMBL111654,
155-04-4 (zinc salt),
WLN: T56 BN DSJ CSH,
DTXSID1020807,
Vulkacit M, vulkacit merkapto/c,
CTK0F9989,
KBio1_001768,
KBio2_002149,
KBio2_004717,
KBio2_007285,
KBio3_002669,
2-Mercaptobenzothiazole (2-MBT),
1,3-benzothiazol-2-ylhydrosulfide,
7778-70-3 (potassium salt),
LS-61,
EBD46479,
NSC-2041,
Tox21_113450,
Tox21_400016,
2953AA,
ANW-21199,
BBL003621,
BDBM50444459,
c1019,
CCG-39092,
SBB037840,
STK499589,
ZINC18098783,
AKOS000119128,
AKOS002337495,
1,3-Benzothiazol-2-yl hydrosulfide #,
CS-W017829,
FS-1801,
MCULE-4331370211,
RP23031,
RTR-006035,
TRA0026553,
4162-43-0 (copper(+2) salt),
KS-000001D2,
NCGC00091643-01,
NCGC00091643-02,
NCGC00091643-04,
NCGC00091643-05,
NCGC00091643-06,
NCGC00091643-09,
NCGC00091643-12,
AC-11606,
AK-47877,
AN-44000,
BC202804,
L287,
SC-18901,
ST023801,
AB0003265,
AB1002882,
DB-042988,
ST2412662,
TL8001072,
TR-006035,
FT-0612758,
FT-0699702,
M0055,
M0247,
T7418,
Mercaptobenzothiazole-2(3H-Benzothiazolethione,
49M304,
C14437,
2-Mercaptobenzothiazole, technical, >=90% (T),
AB00053232-04,
A808877,
AE-641/31369054,
I09-0270,
Q-200294,
BRD-K55160477-001-02-1,
BRD-K55160477-001-03-9,
F3066-0005,
Z1250100728,
27157-85-3,
Ocid,
Sanceler M,
Wobezit M,
Nonflex NB,
Oricel M,
Captax MBT,
Nocceler M-P,
Sanceler M-G,
2-Benzotiazoletiol,
2-Isopropylimidazole,
benzothiazol-2-thiol,
2-mercaptobenzotiazol,
2-Benzotiazolinetiona,
Vulkacit Mercapto/MG,
Aero Promoter 412,
2-Sulfanylbenzothiazole,
Vulkacit Mercapto MG/C,
Aero 407,
Vulkafil ZN 94TT01,
2(3H-Benzothiazolethione,
1,3-benzotiazol-2-tiol,
Mercaptobenzothiazole, 2-,
2 (3H)-Benzotiazoltiona,
2-mercaptano Benzotiazolil,
1,3-benzotiazol-2-tiona,
13-Benzothiazole-2-thiol,
2-mercapto-1H-benzotiazol,
3H-benzothiazole-2-thione,
1 3-Benzothiazole-2-thiol,
2-Benzothiazolethiol (8CI),
2-Benzothiazolethiol (9CI),
2-Mercapto-1H-benzothiazole,
1 3-Benzothiazole-2-thione,
RU 3,
MBT (vulcanization accelerator),
2,3-Dihidrobenzotiazol-2-tiona,
Benz-1 3-thiazolidine-2-thione,
C7-H5-N-S2,
2 3-Dihydrobenzothiazole-2-thione,
2-Benzothiazolinethione (6CI7CI),
2(3H)-Benzothiazolethione (9CI),
2-Benzothiazolinethione (6CI 7CI),
AR-1H7691,
CID697993,
DT 402,
2-Mercaptobenzothiazole, 97% 100g,
2-Mercaptobenzothiazole 99% AR 25gm,
ACN-028577,
2-Mercaptobenzothiazole, 99% - 100G 100g,
C005563,
Mercaptobenzothiazole, 2-; (2-Benzothiazolethiol),
Mercaptobenzothiazole, 2-; (2-Benzothiazolthiol),
2-Mercaptobenzothiazole (1,000 - <lt/> 10,000 microg/ml) in methanol,
158183-05-2,
81605-65-4,
82827-08-5,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.244g/mol |
| Monoisotopic Mass | 166.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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