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379255-08-0 | Benzenesulfonamide,3-isothiocyanato-N,N-dimethyl-
CAS No: 379255-08-0 Catalog No: AG00779E MDL No:MFCD03147330
Product Description
Catalog Number:
AG00779E
Chemical Name:
Benzenesulfonamide,3-isothiocyanato-N,N-dimethyl-
CAS Number:
379255-08-0
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
MDL Number:
MFCD03147330
IUPAC Name:
3-isothiocyanato-N,N-dimethylbenzenesulfonamide
InChI:
InChI=1S/C9H10N2O2S2/c1-11(2)15(12,13)9-5-3-4-8(6-9)10-7-14/h3-6H,1-2H3
InChI Key:
ZTLVXVCTSKNVJA-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)S(=O)(=O)N(C)C
Properties
Complexity:
353
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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