AG003BLP

6295-57-4 | 2-(Benzo[d]thiazol-2-ylthio)acetic acid

AG003BLP

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CAS Number	6295-57-4
Catalog Number	AG003BLP(AGN-PC-0JLSPC)
Chemical Name	2-(Benzo[d]thiazol-2-ylthio)acetic acid
EC Number	228-565-0
IUPAC Name	2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
InChI	InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChI Key	ZZUQWNYNSKJLPI-UHFFFAOYSA-N
MDL Number	MFCD00227391
Molecular Formula	C9H7NO2S2
Molecular Weight	225.2874
NSC Number	11891
SMILES	O=C(O)CSC1=NC2=CC=CC=C2S1
UNII	9H400WTE52
Synonyms	2-(carboxymethylthio)benzothiazole, 6295-57-4, (2-Benzothiazolylthio)acetic Acid, (1,3-benzothiazol-2-ylthio)acetic acid, 2-(benzo[d]thiazol-2-ylthio)acetic acid, 2-(Carboxymethylthio)benzothiazole, (Benzothiazol-2-ylsulfanyl)-acetic acid, Acetic acid, (2-benzothiazolylthio)-, 2-(2-Benzothiazolylthio)acetic acid, (2-BENZOTHIAZOLYTHIO)acetic acid, S-2-(Benzothiazolylthio)glycolic acid, 2-Carboxymethylthiobenzothiazole, (2-Benzothiazolylthio)AceticAcid, (Benzothiazol-2-ylthio)acetic acid, 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid, UNII-9H400WTE52, MLS000737963, (1,3-Benzothiazol-2-ylsulfanyl)acetic acid, ZZUQWNYNSKJLPI-UHFFFAOYSA-N, 9H400WTE52, Acetic acid, 2-(2-benzothiazolylthio)-, 2-benzothiazol-2-ylthioacetic acid, SMR000274397, ChemDiv1_000008, EINECS 228-565-0, NSC 11891, PubChem15350, AI3-16822, AC1L2ZLU, ACMC-1B9HM, AC1Q76BK, CBDivE_001818, MLS000714418, SCHEMBL1286369, CHEMBL1373993, DTXSID5064209, CTK5B6778, HMS587A08, TOS-BB-1234, WLN: T56 BN DSJ CS1VQ, HMS2764F09, ZINC113984, S-2-Benzothiazolylthioglycolic acid, ALBB-005192, KS-00000VH9, NSC11891, STR04969, ANW-34469, BBL000200, benzothiazol-2-ylsulfanyl-acetic acid, CCG-15185, MFCD00227391, NSC-11891, SBB015207, STK395241, AKOS000121545, Acetic acid,2-(2-benzothiazolylthio)-, MCULE-8619835621, RP27596, (benzothiazol-2-yl-sulfanyl)acetic acid, NCGC00245515-01, NCGC00245515-02, BAS 02709416, TS-00561, DB-073230, TR-040489, BB 0219213, EU-0033675, FT-0703348, ST45142805, (1,3-Benzothiazol-2-ylsulfanyl)acetic acid #, L-5337, AB00650038-03, AB00650038-09, AE-641/00692004, SR-01000400075, I09-1486, J-500641, SR-01000400075-1, Z55903461, F0176-0073, C9H7NO2S2, C9-H7-N-O2-S2, CID80525, ethyl(2-methoxy-3-nitrophenyl)sulfane, A8691, B1941, Acetic acid, (2-benzothiazolylthio)- (6CI,7CI,8CI,9CI),

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.992g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.28g/mol
Monoisotopic Mass	224.992g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H319-H411
Precuationary statements	P273-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number