AG00DHJP

5262-63-5 | BENZOTHIAZOLE, 2,4-DIMETHYL- (6CI,7CI,8CI,9CI)

AG00DHJP

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CAS Number	5262-63-5
Catalog Number	AG00DHJP(AGN-PC-0NHNJR)
Chemical Name	BENZOTHIAZOLE, 2,4-DIMETHYL- (6CI,7CI,8CI,9CI)
IUPAC Name	2,4-dimethyl-1,3-benzothiazole
InChI	InChI=1S/C9H9NS/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3
InChI Key	JKUXVIGPUOXPMM-UHFFFAOYSA-N
MDL Number	MFCD03161856
Molecular Formula	C9H9NS
Molecular Weight	163.2395
SMILES	CC1=NC2=C(S1)C=CC=C2C
Synonyms	2,4-Dimethylbenzo[d]thiazole, 5262-63-5, 2,4-Dimethylbenzothiazole, 2,4-dimethyl-1,3-benzothiazole, Benzothiazole, 2,4-dimethyl-, AK-87474, dimethyl-benzothiazoline, PubChem21872, 2,4-Dimethyl-benzothiazole, Benzothiazole, 2,4-dimethyl- (6CI,7CI,8CI,9CI), SCHEMBL1748098, CTK8C1082, DTXSID40476644, 7440AB, ANW-65851, FC0644, FCH846963, MFCD03161856, ZINC38844040, AKOS006277794, ACM5262635, CD-1302, EBD2203148, AJ-96944, SY038957, AX8236614, DB-010713, TC-154596, FT-0689534, ST24038674, MFCD03161856 (95%), A829177, I10-0455, C9H9NS,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.046g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.238g/mol
Monoisotopic Mass	163.046g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number