Basic information
- CAS
47119-84-6- Standard SMILES
O=C=Nc1cccc(S(=O)(=O)c2cccc(N=C=O)c2)c1- InChIKey
YLLYHGYVPJDNCX-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4S
- Average molar mass
- 300.29 g/mol
- Monoisotopic mass
- 300.02047791
Names & identifiers
- Preferred name
- 1-Isocyanato-3-(3-isocyanatophenyl)sulfonyl-benzene
- IUPAC
- 1-isocyanato-3-(3-isocyanatophenyl)sulfonylbenzene
- English name
- 1-isocyanato-3-(3-isocyanatophenyl)sulfonyl-benzene
- Molecular formula
- C14H8N2O4S
- Molecular weight
- 0
Names & synonyms
NSC4076847119-84-61,1'-sulfonylbis(3-isocyanatobenzene)NSC-407681-ISOCYANATO-3-(3-ISOCYANATOPHENYL)SULFONYL-BENZENESCHEMBL4838953,3'-DiisocyanatodiphenylsulfoneDTXSID50285163
Database identifiers
- CAS
47119-84-6- PubChem CID
- 237352
- DTXSID
DTXSID50285163- Nikkaji
- J797.567H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 512
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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