AG00FJXG

74537-49-8 | 6-Benzothiazolol,2-(methylthio)-(9CI)

AG00FJXG

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CAS Number	74537-49-8
Catalog Number	AG00FJXG(AGN-PC-0U5HBR)
Chemical Name	6-Benzothiazolol,2-(methylthio)-(9CI)
IUPAC Name	2-methylsulfanyl-1,3-benzothiazol-6-ol
InChI	InChI=1S/C8H7NOS2/c1-11-8-9-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3
InChI Key	IAQHORMPRYVLJX-UHFFFAOYSA-N
MDL Number	MFCD14585416
Molecular Formula	C8H7NOS2
Molecular Weight	197.2773
SMILES	OC1=CC=C2N=C(SC)SC2=C1
Synonyms	2-(methylthio)benzo[d]thiazol-6-ol, 74537-49-8, 2-(Methylsulfanyl)-1,3-benzothiazol-6-ol, SCHEMBL2675923, DTXSID40663299, IAQHORMPRYVLJX-UHFFFAOYSA-N, 2-methylsulfanyl-benzothiazol-6-ol, 6-Benzothiazolol, 2-(methylthio)-, KM1623, MFCD14585416, ZINC40450056, AKOS027252871, FCH1149251, 2-methylsulfanyl-1,3-benzothiazol-6-ol, 6-Benzothiazolol,2-(methylthio)-(9CI), AK202076, BP-11932, DS-10292, OR323110, SC-13274, AX8277351, CS-0039151, 6-Benzothiazolol, 2-(methylthio)- (9CI),

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.997g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.27g/mol
Monoisotopic Mass	196.997g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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