Basic information
- CAS
14885-19-9- Standard SMILES
CCCOc1ccc(C(=S)OCCCN(C)C)cc1- InChIKey
XHHHLROSGWWUQF-UHFFFAOYSA-N- Molecular formula
- C15H23NO2S
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.14495015
Names & identifiers
- Preferred name
- Benzoic acid, p-propoxythio-, O-(3-(dimethylamino)propyl) ester
- IUPAC
- O-[3-(dimethylamino)propyl] 4-propoxybenzenecarbothioate
- English name
- 4-Propoxybenzenecarbothioic acid O-[3-(dimethylamino)propyl] ester
- Molecular formula
- C15H23NO2S
- Molecular weight
- 281.41
Names & synonyms
14885-19-9BENZOIC ACID, p-PROPOXYTHIO-, O-(3-(DIMETHYLAMINO)PROPYL) ESTERp-Propoxythiobenzoic acid 3-(dimethylamino)propyl esterDTXSID20164118RefChem:327957DTXCID3086609O-[3-(dimethylamino)propyl] 4-propoxybenzenecarbothioate4-Propoxybenzenecarbothioic acid O-[3-(dimethylamino)propyl] esterO-[3-(Dimethylamino)propyl] 4-propoxybenzene-1-carbothioateBenzenecarbothioic acid, 4-propoxy-, O-[3-(dimethylamino)propyl] ester
Database identifiers
- CAS
14885-19-9- PubChem CID
- 26950
- DTXSID
DTXSID20164118- Nikkaji
- J42.030A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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