AG007O1G

2268-79-3 | 6-Methylbenzo[d]thiazole-2-thiol

AG007O1G

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CAS Number	2268-79-3
Catalog Number	AG007O1G(AGN-PC-0LWGNC)
Chemical Name	6-Methylbenzo[d]thiazole-2-thiol
IUPAC Name	6-methyl-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H7NS2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key	KECHYAFVYLLNCH-UHFFFAOYSA-N
MDL Number	MFCD07774732
Molecular Formula	C8H7NS2
Molecular Weight	181.2779
SMILES	SC1=NC2=CC=C(C)C=C2S1
Synonyms	2268-79-3, 6-METHYLBENZO[D]THIAZOLE-2-THIOL, 6-methyl-2-mercaptobenzothiazole, 2-Mercapto-6-methylbenzothiazole, 6-methyl-3H-1,3-benzothiazole-2-thione, AK160955, 6-methyl-2,3-dihydro-1,3-benzothiazole-2-thione, AC1OEPMG, CHEMBL568738, SCHEMBL1771426, SCHEMBL11478869, CTK4E9945, DTXSID40427651, 2-mercapto-6-methyl-benzothiazole, EBD19628, KS-00000SK3, ZINC3881270, FC0635, FCH856565, MFCD07774732, STL301553, 6-methyl-1,3-benzothiazole-2-thiol, 2(3H)-Benzothiazolethione,6-methyl-, AKOS005206611, AB42352, ACM2268793, CM-1181, DS-9812, MCULE-8075635653, AN-50635, AX8293968, 4CH-023444, CS-0061342, ST24045495, 268M793, I10-0442, 6-Methyl-2-benzothiazolethiol; 6-Methyl-2(3H)-benzothiazolethione, ZINC03881270, CID7060852,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.002g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.271g/mol
Monoisotopic Mass	181.002g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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