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3507-54-8 | Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)
CAS No: 3507-54-8 Catalog No: AG00CPAN MDL No:MFCD00099109
Product Description
Catalog Number:
AG00CPAN
Chemical Name:
Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)
CAS Number:
3507-54-8
Molecular Formula:
C8H7NOS2
Molecular Weight:
197.2773
MDL Number:
MFCD00099109
IUPAC Name:
2-methylsulfinyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NOS2/c1-12(10)8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
InChI Key:
WNJYDCANHJSWTI-UHFFFAOYSA-N
SMILES:
CS(=O)c1nc2c(s1)cccc2
Properties
Complexity:
198
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:
0
Isotope Atom Count:
0
Molecular Weight:
197.27g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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