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benzenesulfonyl isocyanate

benzenesulfonyl isocyanate

CAS: 2845-62-7

Formula: C7H5NO3S

SMILES: O=C=NS(=O)(=O)C1=CC=CC=C1

IUPAC: benzenesulfonyl isocyanate

InChI: InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H

Composition: C (45.90%), H (2.75%), N (7.65%), O (26.20%), S (17.50%)

Molar Mass: 183.18

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.999014199
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UJYAZVSPFMJCLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.56
Topological Polar Surface Area 63.57
Polarizability 16.88
Ring Count 1
Rotatable Bond Count 1

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