S-[2-(diethylamino)ethyl] benzenecarbothioate
Basic information
- CAS
14441-55-5- Standard SMILES
CCN(CC)CCSC(=O)c1ccccc1- InChIKey
MDDIJGKRBBOJDY-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.1187354
Names & identifiers
- Preferred name
- S-[2-(diethylamino)ethyl] benzenecarbothioate
- IUPAC
- S-[2-(diethylamino)ethyl] benzenecarbothioate
Names & synonyms
NSC22905014441-55-5S-[2-(diethylamino)ethyl] benzenecarbothioateDTXSID20310592NSC-229050
Database identifiers
- CAS
14441-55-5- PubChem CID
- 313661
- DTXSID
DTXSID20310592
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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