Basic information
- CAS
120-49-0- Standard SMILES
CCN(CC)CCSC(=O)c1ccc(N)cc1- InChIKey
KGFZGOVGODRJEE-UHFFFAOYSA-N- Molecular formula
- C13H20N2OS
- Average molar mass
- 252.38 g/mol
- Monoisotopic mass
- 252.12963444
Names & identifiers
- Preferred name
- Thiocaine
- IUPAC
- S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioate
- English name
- Thiocaine
- Molecular formula
- C13H20N2OS
- Molecular weight
- 252.38
Names & synonyms
ThiocaineThicaineThiocainUSAF A-9870120-49-0beta-Diethylaminoethyl p-aminothiobenzoateNSC 30308BRN 2114277p-Aminothiobenzoic acid, S-(2-(diethylamino)ethyl) esterDTXSID501526443-14-00-01169 (Beilstein Handbook Reference)Benzenecarbothioic acid, 4-amino-, S-(2-(diethylamino)ethyl) ester
Show more names
Benzenecarbothioic acid, 4-amino-, S-[2-(diethylamino)ethyl] ester
BENZOIC ACID, p-AMINOTHIO-, S-(2-(DIETHYLAMINO)ETHYL) ESTERp-Aminothiobenzoic acid, S-[2-(diethylamino)ethyl] esterRefChem:189429DTXCID7075135Benzenecarbothioic acid, 4-amino-, S-(2-(diethylamino)ethyl) ester (9CI)S-[2-(diethylamino)ethyl] 4-aminobenzenecarbothioateSCHEMBL13439968WLN: ZR DVS2N2 & 2
Database identifiers
- CAS
120-49-0- PubChem CID
- 8435
- DTXSID
DTXSID50152644- Nikkaji
- J5.326K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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