Completing data — usually done within a minute
Basic information
- CAS
17512-88-8- Standard SMILES
Cc1ccc(S(=O)(=O)ON=C(C#N)c2ccccc2)cc1- InChIKey
LMBCUZJGJVCPSD-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3S
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.05686324
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrile
- IUPAC
- [[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfonate
Names & synonyms
17512-88-82-(4-methylphenyl)sulfonyloxyimino-2-phenyl-acetonitrileSCHEMBL35981Benzeneacetonitrile, alpha-[[[(4-methylphenyl)sulfonyl]oxy]imino]-alpha-Tosyloxyiminobenzyl cyanide[[cyano(phenyl)methylidene]amino] 4-methylbenzenesulfonateDTXSID30938625DS-003368{[(4-Methylbenzene-1-sulfonyl)oxy]imino}(phenyl)acetonitrile
Database identifiers
- CAS
17512-88-8- PubChem CID
- 308178
- DTXSID
DTXSID30938625
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers1 total
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
Related reactions
3 records
Compound notes
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