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3779-12-2 | Benzothiazole, 5-methyl-2-(methylsulfinyl)- (7CI,8CI)
CAS No: 3779-12-2 Catalog No: AG00CPAO MDL No:
Product Description
Catalog Number:
AG00CPAO
Chemical Name:
Benzothiazole, 5-methyl-2-(methylsulfinyl)- (7CI,8CI)
CAS Number:
3779-12-2
IUPAC Name:
5-methyl-2-methylsulfinyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS2/c1-6-3-4-8-7(5-6)10-9(12-8)13(2)11/h3-5H,1-2H3
InChI Key:
JRZYATGCJSCBLO-UHFFFAOYSA-N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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