AG003I06

4767-00-4 | 3-(Benzo[d]thiazol-2-ylthio)propanoic acid

AG003I06

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CAS Number	4767-00-4
Catalog Number	AG003I06(AGN-PC-0JNCYR)
Chemical Name	3-(Benzo[d]thiazol-2-ylthio)propanoic acid
IUPAC Name	3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid
InChI	InChI=1S/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)
InChI Key	DXSBAOMLHPFLMW-UHFFFAOYSA-N
MDL Number	MFCD00022878
Molecular Formula	C10H9NO2S2
Molecular Weight	239.3140
NSC Number	13122
SMILES	O=C(O)CCSC1=NC2=CC=CC=C2S1
Synonyms	4767-00-4, 3-(1,3-benzothiazol-2-ylthio)propanoic acid, 3-(2-Benzothiazolylthio)propionic Acid, 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid, 3-(Benzo[d]thiazol-2-ylthio)propanoic acid, propanoic acid, 3-(2-benzothiazolylthio)-, MLS000061470, CHEMBL191750, 3-(Benzothiazol-2-ylsulfanyl)-propionic acid, SMR000069866, 3-benzothiazol-2-ylthiopropanoic acid, Opera_ID_1, ACMC-1ASQT, AC1L5DDV, AC1Q5WGN, beta-(2-Benzothiazolylmercapto)propionic acid, ChemDiv2_003286, CBKinase1_000600, CBKinase1_013000, Cambridge id 5560810, Oprea1_069102, Oprea1_816664, SCHEMBL144880, AC1Q75R0, cid_224561, REGID_for_CID_224561, CTK4J0189, DTXSID50279547, DXSBAOMLHPFLMW-UHFFFAOYSA-N, HMS1378F08, HMS2433O11, ZINC192890, NSC13122, ANW-30553, BDBM50167956, MFCD00022878, NSC-13122, SBB053278, 3-(2-Benzothiazolylthio)propionicAcid, AKOS000121263, MCULE-5396751432, NE10846, SDCCGMLS-0029346.P002, KS-000017E2, 3-(benzothiazol-2-ylthio)propionic acid, BAS 00458437, Propanoic acid,3-(2-benzothiazolylthio)-, TS-00708, DB-051468, TR-053563, BB 0219215, FT-0635434, ST50230434, MLS-0029346.0001, 3-(2-BENZOTHIAZOLYLTHIO)-PROPIONIC ACID, AB00089229-01, SR-01000400076, 3-[(1,3-Benzothiazol-2-yl)sulfanyl]propanoic acid, SR-01000400076-1, BRD-K72380500-001-01-7, Z86367000, 3- propionicacid, AR-1L2256, CID224561, B1942, 32137-76-1, 5440-47-1,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.007g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.307g/mol
Monoisotopic Mass	239.007g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number