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82000-51-9 | 3-methanesulfonyl-5-methyl-1,2-thiazole-4-carbonitrile
CAS No: 82000-51-9 Catalog No: AG00IYHU MDL No:MFCD00138543
Product Description
Catalog Number:
AG00IYHU
Chemical Name:
3-methanesulfonyl-5-methyl-1,2-thiazole-4-carbonitrile
CAS Number:
82000-51-9
Molecular Formula:
C6H6N2O2S2
Molecular Weight:
202.2540
MDL Number:
MFCD00138543
IUPAC Name:
5-methyl-3-methylsulfonyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2O2S2/c1-4-5(3-7)6(8-11-4)12(2,9)10/h1-2H3
InChI Key:
YRDGTBDIAKVRAV-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)snc1S(=O)(=O)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.246g/mol
Monoisotopic Mass:
201.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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