Home Sulfos 2-cyano-1-benzothiophene-3-sulfonyl chloride

2-cyano-1-benzothiophene-3-sulfonyl chloride

CAS No.:
1334626-84-4
Catalog Number:
AG01CABZ
Molecular Formula:
C9H4ClNO2S2
Molecular Weight:
257.7166
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Product Description
Catalog Number:
AG01CABZ
Chemical Name:
2-cyano-1-benzothiophene-3-sulfonyl chloride
CAS Number:
1334626-84-4
Molecular Formula:
C9H4ClNO2S2
Molecular Weight:
257.7166
MDL Number:
MFCD20133240
IUPAC Name:
2-cyano-1-benzothiophene-3-sulfonyl chloride
InChI:
InChI=1S/C9H4ClNO2S2/c10-15(12,13)9-6-3-1-2-4-7(6)14-8(9)5-11/h1-4H
InChI Key:
TWXRYVUNIDNOMJ-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(c1S(=O)(=O)Cl)cccc2
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.937g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.706g/mol
Monoisotopic Mass:
256.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties