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23165-62-0 | Benzenesulfonamide, 3-isothiocyanato-
CAS No: 23165-62-0 Catalog No: AG002MG2 MDL No:
Product Description
Catalog Number:
AG002MG2
Chemical Name:
Benzenesulfonamide, 3-isothiocyanato-
CAS Number:
23165-62-0
Molecular Formula:
C7H6N2O2S2
Molecular Weight:
214.2647
IUPAC Name:
3-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C7H6N2O2S2/c8-13(10,11)7-3-1-2-6(4-7)9-5-12/h1-4H,(H2,8,10,11)
InChI Key:
JJIXUSXIWOGNOW-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)S(=O)(=O)N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.257g/mol
Monoisotopic Mass:
213.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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