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Home > Sulfanilamide > 99072-10-3
99072-10-3 | N-allyl-4-isothiocyanatobenzenesulfonamide
CAS No: 99072-10-3 Catalog No: AG00JC10 MDL No:MFCD09971962
Product Description
Catalog Number:
AG00JC10
Chemical Name:
N-allyl-4-isothiocyanatobenzenesulfonamide
CAS Number:
99072-10-3
Molecular Formula:
C10H10N2O2S2
Molecular Weight:
254.3286
MDL Number:
MFCD09971962
IUPAC Name:
4-isothiocyanato-N-prop-2-enylbenzenesulfonamide
InChI:
InChI=1S/C10H10N2O2S2/c1-2-7-12-16(13,14)10-5-3-9(4-6-10)11-8-15/h2-6,12H,1,7H2
InChI Key:
UPOGBKAGURHSDR-UHFFFAOYSA-N
SMILES:
C=CCNS(=O)(=O)c1ccc(cc1)N=C=S
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.322g/mol
Monoisotopic Mass:
254.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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