Basic information
- CAS
63917-80-6- Standard SMILES
CCCCN(CCCC)CCCOC(=S)c1ccc(N)cc1- InChIKey
USDBVRPFFFHQMD-UHFFFAOYSA-N- Molecular formula
- C18H30N2OS
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.20788476
Names & identifiers
- Preferred name
- Benzoic acid, p-aminothio-, 3-(dibutylamino)propyl ester
- IUPAC
- O-[3-(dibutylamino)propyl] 4-aminobenzenecarbothioate
- English name
- p-Aminothiobenzoic acid S-[3-(dibutylamino)propyl] ester
- Molecular formula
- C18H30N2OS
- Molecular weight
- 322.51
Names & synonyms
USAF A-9869BRN 335057163917-80-6BENZOIC ACID, p-AMINOTHIO-, 3-(DIBUTYLAMINO)PROPYL ESTER3-Di-n-butylaminopropyl-p-aminothiobenzoateDTXSID10213684Benzoic acid, thio p-amino-, 3-(dibutylamino)propyl ester3-14-00-01170 (Beilstein Handbook Reference)RefChem:327922DTXCID40136175O-[3-(Dibutylamino)propyl] 4-aminobenzene-1-carbothioatep-Aminothiobenzoic acid S-[3-(dibutylamino)propyl] ester
Show more names
Benzenecarbothioic acid, 4-amino-, S-[3-(dibutylamino)propyl] ester
Database identifiers
- CAS
63917-80-6- PubChem CID
- 45324
- DTXSID
DTXSID10213684
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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