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4886-13-9 | 3,5-BIS(METHYLTHIO)ISOTHIAZOLE-4-CARBONITRILE
CAS No: 4886-13-9 Catalog No: AG00D9XN MDL No:MFCD00173834
Product Description
Catalog Number:
AG00D9XN
Chemical Name:
3,5-BIS(METHYLTHIO)ISOTHIAZOLE-4-CARBONITRILE
CAS Number:
4886-13-9
Molecular Formula:
C6H6N2S3
Molecular Weight:
202.3202
MDL Number:
MFCD00173834
IUPAC Name:
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H6N2S3/c1-9-5-4(3-7)6(10-2)11-8-5/h1-2H3
InChI Key:
BDBFZCOZJOTIFS-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC)snc1SC
NSC Number:
202664
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.969g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.308g/mol
Monoisotopic Mass:
201.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles. | Bioorganic & medicinal chemistry 19981201 |
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