AG006X11

2268-77-1 | 4-methyl-1,3-benzothiazole-2-thiol

AG006X11

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CAS Number	2268-77-1
Catalog Number	AG006X11(AGN-PC-0LNAC8)
Chemical Name	4-methyl-1,3-benzothiazole-2-thiol
IUPAC Name	4-methyl-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C8H7NS2/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
InChI Key	JACGKHGTBZGVMW-UHFFFAOYSA-N
MDL Number	MFCD11044826
Molecular Formula	C8H7NS2
Molecular Weight	181.2779
NSC Number	503426
SMILES	S=C1SC2=CC=CC(C)=C2N1
Synonyms	2268-77-1, 4-Methylbenzo[d]thiazole-2(3H)-thione, 4-METHYL-2-MERCAPTOBENZOTHIAZOLE, 2(3H)-Benzothiazolethione, 4-methyl-, 2-mercapto-4-methylbenzothiazole, 4-methyl-3H-1,3-benzothiazole-2-thione, MLS003373823, 4-METHYLBENZO[D]THIAZOLE-2-THIOL, NSC503426, AC1NOHW0, KSC495E9D, 4-Methylbenzothiazole-2-thiol, SCHEMBL546270, 4-Methyl-2-mercaptobenzothiazol, CHEMBL1867807, SCHEMBL17941559, CTK3J5291, DTXSID80408681, JACGKHGTBZGVMW-UHFFFAOYSA-N, 2-Mercapto 4-methyl-benzothiazole, 2-Mercapto-4-methyl-benzothiazole, 2-Mercapto -4-methyl-benzothiazole, EBD51149, KS-00000R1C, ZINC6491452, 1392AB, FCH887329, MFCD11044826, AKOS006307338, AKOS016010650, AB62961, ACM2268771, CM-1179, DS-5665, NSC-503426, AK119588, AN-50634, SMR002048619, AX8245004, DB-011056, RT-002448, 4-METHYL-1,3-BENZOTHIAZOLE-2-THIOL, 4CH-022159, FT-0755815, ST24043914, 268M771, 4-methyl-2,3-dihydro-1,3-benzothiazole-2-thione, I09-1832, C8H7NS2, CID5138501,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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