AG003MN0

5331-91-9 | 5-Chloro-1,3-benzothiazole-2-thiol

AG003MN0

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CAS Number	5331-91-9
Catalog Number	AG003MN0(AGN-PC-0KK017)
Chemical Name	5-Chloro-1,3-benzothiazole-2-thiol
EC Number	226-235-0
IUPAC Name	5-chloro-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key	NKYDKCVZNMNZCM-UHFFFAOYSA-N
MDL Number	MFCD00005783
Molecular Formula	C7H4ClNS2
Molecular Weight	201.6964
NSC Number	3934
SMILES	S=C1SC2=CC=C(Cl)C=C2N1
UNII	R9099U429R
Synonyms	5-chloro-2-mercaptobenzothiazole, 5-Chloro-2-mercaptobenzothiazole, 5331-91-9, 5-Chlorobenzo[d]thiazole-2(3H)-thione, 5-chloro-1,3-benzothiazole-2-thiol, 5-Chlorobenzo[d]thiazole-2-thiol, SH-Benzothiazole, 5-Chloro-2-benzothiazolethiol, 2(3H)-Benzothiazolethione, 5-chloro-, 5-chlorobenzothiazole-2-thiol, Benzothiazole, 5-chloro-2-mercapto-, 2-BENZOTHIAZOLETHIOL, 5-CHLORO-, 5-chloro-3H-1,3-benzothiazole-2-thione, UNII-R9099U429R, NSC 3934, EINECS 226-235-0, MFCD00005783, MLS000518963, NKYDKCVZNMNZCM-UHFFFAOYSA-N, R9099U429R, 53404-93-6, 5-CHLORO-2-MERCAPTOBENZOTHIAZINE, SMR000129383, 5-chloranyl-3H-1,3-benzothiazole-2-thione, NSC3934, 2-metcapto-5-chloro-benzothiazole, CMBT, PubChem17578, PubChem21858, AC1MC3PX, Maybridge1_006216, 2(3H)-Benzothiazolethione, 5-chloro- (9CI), ACMC-1B11Y, KSC494S7F, SCHEMBL347929, 5-chloro-benzothiazol-2-thiol, SCHEMBL9497675, CHEMBL1456330, DTXSID0022224, 2-mercapto-5-chlorobenzothiazole, BDBM59826, cid_2723842, CTK3J4972, HMS559C12, NKYDKCVZNMNZCM-UHFFFAOYSA-, REGID_for_CID_2723842, HMS2502H14, WLN: T56 BN DSJ CSH HG, KS-000010MR, NSC-3934, ZINC1653247, 5-Chloro-3H-benzothiazole-2-thione, ANW-31704, BBL003821, FC0636, SBB003526, STK396220, AKOS000120378, AKOS001260730, 5-CHLORO-BENZOTHIAZOLE-2-THIOL, AB00531, AC-4806, EBD2150589, MCULE-6541023450, RL03975, RTR-037003, TRA0094455, 5-chloro-3-hydrobenzothiazole-2-thione, NCGC00245945-01, NCGC00245945-02, AN-11627, I375, LS-40832, SC-05117, ST012273, AB0013654, TR-037003, 4CH-022037, EU-0002999, FT-0620259, ST24044673, T7942, 5-Chloro-1,3-benzothiazol-2-yl hydrosulfide, AB00128201-12, 5-chloro-2,3-dihydro-1,3-benzothiazole-2-thione, A829509, SR-01000414406, I14-0688, J-640164, SR-01000414406-1, W-105752, I14-37448, F0771-0819, Z203240834, 5-Chloro-2-mercaptobenzothiazole, technical grade, >=90%, InChI=1/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10), C7H4ClNS2, cc-320, 5-chlorobenzimidazole-2-thiol, 2-Mercapto-5-chlorobenzoxazole, C7-H4-Cl-N-S2, 4-CHLORO-2-MERCAPTOBENZOTHIAZOLE, c1297, CID2723842, 5-Chloro-2-mercaptobenzothiazole zinc salt, 2(3H)-Benzothiazolethione, 5-chloro-, zinc salt, C539674, 5-Chloro-2-mercaptobenzothiazole, 98% - 25G 25g, 1849-65-6,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.947g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.686g/mol
Monoisotopic Mass	200.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H401
Precuationary statements	P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Siginal words

Certificate of Analysis

Lot Number