Home Sulfos 2-((4-Chlorophenyl)sulfonyl)ethanethioamide

2-((4-Chlorophenyl)sulfonyl)ethanethioamide

CAS No.:
59865-87-1
Catalog Number:
AG003G7Z
Molecular Formula:
C8H8ClNO2S2
Molecular Weight:
249.7376
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Product Description
Catalog Number:
AG003G7Z
Chemical Name:
2-((4-Chlorophenyl)sulfonyl)ethanethioamide
CAS Number:
59865-87-1
Molecular Formula:
C8H8ClNO2S2
Molecular Weight:
249.7376
MDL Number:
MFCD00052824
IUPAC Name:
2-(4-chlorophenyl)sulfonylethanethioamide
InChI:
InChI=1S/C8H8ClNO2S2/c9-6-1-3-7(4-2-6)14(11,12)5-8(10)13/h1-4H,5H2,(H2,10,13)
InChI Key:
OGQJCNYNVJXWBB-UHFFFAOYSA-N
SMILES:
NC(=S)CS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.968g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.727g/mol
Monoisotopic Mass:
248.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties