![Chemical structure of Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-, CAS 104-06-3](https://api.angenesci.com/structure/1663/104-06-3.png)
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| CAS Number | 104-06-3 |
| Catalog Number | AG00HA95(AGN-PC-0KK671) |
| Chemical Name | Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]- |
| EC Number | 203-170-6 |
| IUPAC Name | N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide |
| InChI | InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+ |
| InChI Key | SRVJKTDHMYAMHA-WUXMJOGZSA-N |
| MDL Number | MFCD00022157 |
| Molecular Formula | C10H12N4OS |
| Molecular Weight | 236.2935 |
| NSC Number | 3550 |
| SMILES | O=C(NC1=CC=C(C=C1)/C=N/NC(N)=S)C |
| UNII | MMG78X7SSR |
| Synonyms | Ambathizon,
Amithiozone,
Conteben,
Parazone,
TB I 698,
TB I-698,
TB I698,
TBI 698,
TBI-698,
TBI698,
Thiacetazone,
Thioacetazon,
Thioacetazone,
Thioacetazone,
Thiacetazone,
AMITHIOZONE,
Ambathizon,
Benzothiozane,
Conteben,
Benzothiozon,
Benthiozone,
Parazone,
Thioacetazon,
Thiocarbazil,
Tibon,
Tubin,
Thiosemicarbazone,
Siocarbazone,
Tebethione,
Thiacetone,
Thiacetozone,
Thioazetazone,
Thioparamizon,
Thioparamizone,
Thiotebesin,
Thiotebezin,
Thiotebicina,
Tiacetazon,
Tioacetazon,
Tioatsetazon,
Tubercazon,
Aktivan,
Amitiozon,
Berkazon,
Domakol,
Livazone,
Mivizon,
Myvizone,
Neotibil,
Neustab,
Novakol,
Panrone,
Seroden,
Tebalon,
Tebecure,
Tebemar,
Tebethion,
Tebezon,
Thibone,
Thiomicid,
Thionicid,
Thizone,
Tibicur,
Tibizan,
Tiobicina,
Tiocarone,
Tiosecolo,
Tubigal,
Antib,
Diasan,
Ilbion,
Thibon,
Tibone,
Berculon A,
Tebesone I,
Nuclon argentinian,
104-06-3,
Thiosemicarbarzone,
TB I (Bayer),
TB I,
4-Acetylaminobenzaldehyde thiosemicarbazone,
Domagk's T.B.1 conteben,
Tibione,
4'-Formylacetanilide thiosemicarbazone,
Diazan,
Sdt 1041,
Magk's T.B.1 conteben,
Tb I/698,
p-Acetaminobenzylidenethiosemicarbazone,
Tibion,
CBC 903150,
p-Formylacetanilide-3-thiosemicarbazone,
SQ 2321,
p-Acetamidobenzaldehyde thiosemicarbazone,
p-Acetoaminobenzaldehyde thiosemicarbazone,
UNII-MMG78X7SSR,
Thioacetazone [INN:BAN],
Thioacetazonum [INN-Latin],
Tioacetazona [INN-Spanish],
A 4081,
4207 RP,
RP 4207,
p-Acetylaminobenzadehyde thiosemicarbazone,
Thiosemicarbazone (pharmaceutical),
NSC 3550,
EINECS 203-170-6,
MMG78X7SSR,
Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-,
BRN 2810335,
AI3-18591,
C10H12N4OS,
Acetamide, N-(4-(((aminothioxomethyl)hydrazono)methyl)phenyl)-,
NSC3550,
Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone),
p-Acetamidobenzaldehyde thiosemicarbazon,
NCGC00159389-02,
NCGC00159389-03,
NCGC00159389-04,
p-Acetylaminobenzaldehyde thiosemicarbazone,
DSSTox_CID_2593,
DSSTox_RID_76650,
DSSTox_GSID_22593,
Mirizone neustab,
Thioacetazonum,
Tioacetazona,
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide,
4-Acetamidobenzaldehyde thiosemicarbazone;4-Acetamidobenzaldehyde thiosemicarbazone,
CAS-104-06-3,
Amithizone,
4207RP,
Tb I-698,
TBI-698,
Citazone (TN),
Acetanilide, 4'-formyl-, thiosemicarbazone,
Thioacetazone (INN),
AC1Q1KP2,
SCHEMBL42515,
Acetanilide, thiosemicarbazone,
WLN: SUYZMNU1R DMV1,
4-14-00-00075 (Beilstein Handbook Reference),
N-(4-([2-(Aminocarbothioyl)hydrazono]methyl)phenyl)acetamide,
Acetamide, N-(4-(((aminothiomethyl)hydrazono)methylene)phenyl)-,
Acetamide, N-[4-[[(aminothiomethyl)hydrazono]methylene]phenyl]-,
Acetamide, N1-(4-([2-(aminocarbothioyl)hydrazono]methyl)phenyl),
CHEMBL375492,
TB-1,
Acetamide, N-[4-[[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-,
DTXSID2022593,
EX-A101,
CHEBI:134958,
SRVJKTDHMYAMHA-WUXMJOGZSA-N,
NSC-3550,
Tox21_111625,
Tox21_111626,
Acetanilide, 4'-(thiosemicarbazone),
MFCD00022157,
RP4207,
SQ2321,
STL503688,
ZINC32709513,
AKOS000304458,
Tox21_111625_1,
DB12829,
4-Acetamidobenzaldehyde thiosemicarbazone,
LS-10754,
BC4117979,
D08584,
S-7887,
A800888,
C-14007,
SR-01000872620,
SR-01000872620-2,
N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide,
N-(4-{(E)-[(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide,
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]ethanamide,
N-{4-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl}acetamide,
thiocarbazyl,
Diazane,
thioacetazon-,
TBI698,
TB I698,
TBI 698,
4'-Formylacetanilidethiosemicarbazon,
TB I 698,
C10-H12-N4-O-S,
CID9568512,
D013828,
TBI,
2-[[4-(acetylamino)phenyl]methylene]hydrazinecarbothioamide,
N-[4-[[(Aminothioxomethyl)hydrazono]methyl]phenyl]acetamide,
(E)-N-(4-((2-carbamothioylhydrazono)methyl)phenyl)acetamide,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 236.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.293g/mol |
| Monoisotopic Mass | 236.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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