Carbamic acid, (2-mercaptoethyl)-, phenyl ester, S-ester with phenylthiocarbonate
Basic information
- CAS
28174-17-6- Standard SMILES
O=C(NCCSC(=O)Oc1ccccc1)Oc1ccccc1- InChIKey
IPPHCXGEWUIJGY-UHFFFAOYSA-N- Molecular formula
- C16H15NO4S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.07217913
Names & identifiers
- Preferred name
- Carbamic acid, (2-mercaptoethyl)-, phenyl ester, S-ester with phenylthiocarbonate
- IUPAC
- phenyl 2-(phenoxycarbonylamino)ethylsulfanylformate
- English name
- N-[2-[[(Phenoxy)carbonyl]thio]ethyl]carbamic acid phenyl ester
- Molecular weight
- 0
Names & synonyms
BRN 2005105Carbamic acid, (2-mercaptoethyl)-, phenyl ester, S-ester with phenylthiocarbonatePhenyl N-(2-(phenylthiolcarbonate)ethyl) carbamate28174-17-6Carbamic acid, N-(2-(phenylthiocarbonato)ethyl)-, phenyl esterDTXSID20182453RefChem:331955DTXCID30104944S-{2-[(phenoxycarbonyl)amino]ethyl} O-phenyl carbonothioateN-[2-[[(Phenoxy)carbonyl]thio]ethyl]carbamic acid phenyl ester
Database identifiers
- CAS
28174-17-6- PubChem CID
- 34181
- DTXSID
DTXSID20182453- Nikkaji
- J42.901E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…