Basic information
- CAS
30415-28-2- Standard SMILES
O=C(O)c1sccc1-c1cccc2ccccc12- InChIKey
BAQGBODNNCUJCL-UHFFFAOYSA-N- Molecular formula
- C15H10O2S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.04015073
Names & identifiers
- Preferred name
- 3-(1-Naphthyl)-2-thiophenecarboxylic acid
- IUPAC
- 3-naphthalen-1-ylthiophene-2-carboxylic acid
Names & synonyms
3-(1-Naphthyl)-2-thiophenecarboxylic acid30415-28-27Z54ME4XAQUNII-7Z54ME4XAQNSC 149685NSC-149685DTXSID501845012-THIOPHENECARBOXYLIC ACID, 3-(1-NAPHTHYL)-3-(1-NAPHTHALENYL)-2-THIOPHENECARBOXYLIC ACID2-THIOPHENECARBOXYLIC ACID, 3-(1-NAPHTHALENYL)-RefChem:92064DTXCID20106992
Show more names
NSC1496853-(naphthalen-1-yl)thiophene-2-carboxylic acidSCHEMBL28910605AKOS0131099693-(1-naphthyl)thiophene-2-carboxylic acid
Database identifiers
- CAS
30415-28-2- PubChem CID
- 288474
- DTXSID
DTXSID50184501- UNII
- 7Z54ME4XAQ
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…