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116170-26-4 | 2,4-Thiophenedicarbonitrile, 3-chloro-5-(methylsulfinyl)-
CAS No: 116170-26-4 Catalog No: AG000BSZ MDL No:
Product Description
Catalog Number:
AG000BSZ
Chemical Name:
2,4-Thiophenedicarbonitrile, 3-chloro-5-(methylsulfinyl)-
CAS Number:
116170-26-4
Molecular Formula:
C7H3ClN2OS2
Molecular Weight:
230.6945
IUPAC Name:
3-chloro-5-methylsulfinylthiophene-2,4-dicarbonitrile
InChI:
InChI=1S/C7H3ClN2OS2/c1-13(11)7-4(2-9)6(8)5(3-10)12-7/h1H3
InChI Key:
YWIGZOISJQJKDS-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(c1Cl)C#N)S(=O)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.938g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.684g/mol
Monoisotopic Mass:
229.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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