Basic information
- CAS
73623-24-2- Standard SMILES
CCN(CC)CCOC(=S)Nc1ccccc1.Cl- InChIKey
YRQMSGGBXQWTSN-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2OS
- Average molar mass
- 288.84 g/mol
- Monoisotopic mass
- 288.1063122
Overview
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Names & identifiers
- Preferred name
- Thiocarbanilic acid 2-diethylaminoethyl ester hydrochloride
- IUPAC
- O-[2-(diethylamino)ethyl] N-phenylcarbamothioate;hydrochloride
Names & synonyms
O-(2-(Diethylamino)ethyl)thiocarbanilate hydrochlorideThiocarbanilic acid 2-diethylaminoethyl ester hydrochlorideWLN: SUYMR&O2N2&2 &GHNSC202929beta-Diethylaminoethyl-phenylthiourethanhydrochlorideCarbanilic acid, o-(2-diethylaminoethyl) ester, hydrochlorideCarbamothioic acid, O-[2-(diethylamino)ethyl] ester, monohydrochloride
Database identifiers
- CAS
73623-24-2- PubChem CID
- 54608317
- UNII
- M3KU9HYZ6W
Properties
Computed structural properties
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
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Compound notes
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