Basic information
- CAS
28118-49-2- Standard SMILES
O=C(Sc1ccccc1)c1ccc2ccccc2c1- InChIKey
OONFEZOOKHKYQL-UHFFFAOYSA-N- Molecular formula
- C17H12OS
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.06088618
Names & identifiers
- Preferred name
- 2-Naphthoic acid, S-phenyl ester
- IUPAC
- S-phenyl naphthalene-2-carbothioate
- English name
- 2-Naphthalene(thiocarboxylic acid)S-phenyl ester
- Molecular formula
- C17H12OS
- Molecular weight
- 264.34
Names & synonyms
S-Phenyl 2-naphthalenethiocarboxylate28118-49-22-NAPHTHOIC ACID, S-PHENYL ESTER2-Naphthalenecarboxylic acid, thio-, S-phenyl esterDTXSID80182393RefChem:264222DTXCID90104884S-phenyl naphthalene-2-carbothioateS-Phenyl 2-naphthalenecarbothioate2-Naphthalenecarbothioic acid, S-phenyl ester2-Naphthalene(thiocarboxylic acid)S-phenyl ester
Database identifiers
- CAS
28118-49-2- PubChem CID
- 34152
- DTXSID
DTXSID80182393- Nikkaji
- J42.446C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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