Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
Basic information
- CAS
93805-47-1- Standard SMILES
Cc1cc(S(=O)(=O)Oc2ccccc2)c(N=C=O)cc1N=C=O- InChIKey
YOYNLXLKRDWFKJ-UHFFFAOYSA-N- Molecular formula
- C15H10N2O5S
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.0310426
Names & identifiers
- Preferred name
- Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
- IUPAC
- phenyl 2,4-diisocyanato-5-methylbenzenesulfonate
- English name
- phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
- Molecular formula
- C15H10N2O5S
- Molecular weight
- 330.32
Names & synonyms
93805-47-1Phenyl 2,4-diisocyanato-5-methylbenzenesulphonateEINECS 298-530-2phenyl 2,4-diisocyanato-5-methylbenzenesulfonateSNB8YC2NYVphenyl 2,4-diisocyanato-5-methylbenzene-1-sulfonateDTXSID50239707YOYNLXLKRDWFKJ-UHFFFAOYSA-NNS00039646Benzenesulfonic acid, 2,4-diisocyanato-5-methyl-, phenyl ester2,4-Diisocyanato-5-methylbenzenesulfonic acid phenyl ester
Database identifiers
- CAS
93805-47-1- PubChem CID
- 6366245
- DTXSID
DTXSID50239707- UNII
- SNB8YC2NYV
- EC Number
- 298-530-2
- Nikkaji
- J280.662B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 596
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Related reactions
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Compound notes
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