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956576-77-5 | 4-isothiocyanato-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CAS No: 956576-77-5 Catalog No: AG00JC19 MDL No:MFCD09971971
Product Description
Catalog Number:
AG00JC19
Chemical Name:
4-isothiocyanato-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
CAS Number:
956576-77-5
Molecular Formula:
C12H14N2O3S2
Molecular Weight:
298.3812
MDL Number:
MFCD09971971
IUPAC Name:
4-isothiocyanato-N-(oxolan-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C12H14N2O3S2/c15-19(16,14-8-11-2-1-7-17-11)12-5-3-10(4-6-12)13-9-18/h3-6,11,14H,1-2,7-8H2
InChI Key:
CGCDDAVLIRTESD-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)NCC1CCCO1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.375g/mol
Monoisotopic Mass:
298.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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