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3622-48-8 | Benzothiazole, 5-methyl-2-(methylthio)- (7CI,8CI,9CI)
CAS No: 3622-48-8 Catalog No: AG00CPKT MDL No:
Product Description
Catalog Number:
AG00CPKT
Chemical Name:
Benzothiazole, 5-methyl-2-(methylthio)- (7CI,8CI,9CI)
CAS Number:
3622-48-8
IUPAC Name:
5-methyl-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS2/c1-6-3-4-8-7(5-6)10-9(11-2)12-8/h3-5H,1-2H3
InChI Key:
ZQSCHWFUWXOGSH-UHFFFAOYSA-N
Properties
Complexity:
163
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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