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Home > Sulfanilamide > 223785-90-8
223785-90-8 | 4-ISOTHIOCYANATO-N-METHYLBENZENESULFONAMIDE
CAS No: 223785-90-8 Catalog No: AG00BINN MDL No:MFCD09971957
Product Description
Catalog Number:
AG00BINN
Chemical Name:
4-ISOTHIOCYANATO-N-METHYLBENZENESULFONAMIDE
CAS Number:
223785-90-8
Molecular Formula:
C8H8N2O2S2
Molecular Weight:
228.2913
MDL Number:
MFCD09971957
IUPAC Name:
4-isothiocyanato-N-methylbenzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S2/c1-9-14(11,12)8-4-2-7(3-5-8)10-6-13/h2-5,9H,1H3
InChI Key:
RWAPCVBNVCMXDF-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)NC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.284g/mol
Monoisotopic Mass:
228.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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