Home Sulfos 4-methanesulfonylbenzene-1-carbothioamide

4-methanesulfonylbenzene-1-carbothioamide

CAS No.:
875841-36-4
Catalog Number:
AG01A9KH
Molecular Formula:
C8H9NO2S2
Molecular Weight:
215.2926
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Product Description
Catalog Number:
AG01A9KH
Chemical Name:
4-methanesulfonylbenzene-1-carbothioamide
CAS Number:
875841-36-4
Molecular Formula:
C8H9NO2S2
Molecular Weight:
215.2926
MDL Number:
MFCD16622123
IUPAC Name:
4-methylsulfonylbenzenecarbothioamide
InChI:
InChI=1S/C8H9NO2S2/c1-13(10,11)7-4-2-6(3-5-7)8(9)12/h2-5H,1H3,(H2,9,12)
InChI Key:
GLMBGLFCFNSJIM-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.007g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.285g/mol
Monoisotopic Mass:
215.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties