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223785-92-0 | 4-ISOTHIOCYANATO-N,N-DIMETHYLBENZENESULFONAMIDE
CAS No: 223785-92-0 Catalog No: AG00BUWG MDL No:MFCD09971950
Product Description
Catalog Number:
AG00BUWG
Chemical Name:
4-ISOTHIOCYANATO-N,N-DIMETHYLBENZENESULFONAMIDE
CAS Number:
223785-92-0
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
MDL Number:
MFCD09971950
IUPAC Name:
4-isothiocyanato-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C9H10N2O2S2/c1-11(2)15(12,13)9-5-3-8(4-6-9)10-7-14/h3-6H,1-2H3
InChI Key:
ZAIFZABYMYTEAX-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)N(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.311g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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