AG00G608

80087-70-3 | 2(3H)-Benzothiazolethione,5,6-dimethyl-(9CI)

AG00G608

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CAS Number	80087-70-3
Catalog Number	AG00G608(AGN-PC-0UG9W4)
Chemical Name	2(3H)-Benzothiazolethione,5,6-dimethyl-(9CI)
IUPAC Name	5,6-dimethyl-3H-1,3-benzothiazole-2-thione
InChI	InChI=1S/C9H9NS2/c1-5-3-7-8(4-6(5)2)12-9(11)10-7/h3-4H,1-2H3,(H,10,11)
InChI Key	FFQWZJULSCUVRK-UHFFFAOYSA-N
MDL Number	MFCD26743454
Molecular Formula	C9H9NS2
Molecular Weight	195.3045
SMILES	SC1=NC2=CC(C)=C(C)C=C2S1
Synonyms	5,6-Dimethylbenzo[d]thiazole-2-thiol, 80087-70-3, AK127099, SCHEMBL14297425, KS-00000RAE, DTXSID00610264, MFCD26743454, ZINC45237237, AKOS016012673, DS-5444, FCH2485618, AX8248890, ST2418555, 4CH-016126, 5,6-Dimethyl-1,3-benzothiazole-2(3H)-thione, 2(3H)-Benzothiazolethione,5,6-dimethyl-(9CI), 2(3H)-Benzothiazolethione, 5,6-dimethyl- (9CI),

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.018g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.298g/mol
Monoisotopic Mass	195.018g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number