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82000-50-8 | 5-methyl-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
CAS No: 82000-50-8 Catalog No: AG00ISIA MDL No:MFCD00138506
Product Description
Catalog Number:
AG00ISIA
Chemical Name:
5-methyl-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
CAS Number:
82000-50-8
Molecular Formula:
C6H6N2S2
Molecular Weight:
170.2552
MDL Number:
MFCD00138506
IUPAC Name:
5-methyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2S2/c1-4-5(3-7)6(9-2)8-10-4/h1-2H3
InChI Key:
BXRQKXBJUUQKRM-UHFFFAOYSA-N
SMILES:
CSc1nsc(c1C#N)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.248g/mol
Monoisotopic Mass:
169.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles. | Bioorganic & medicinal chemistry 19981201 |
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