Basic information
- CAS
91852-97-0- Standard SMILES
CCC(C)OC(=S)N(CC)CC- InChIKey
HSTIQRYGALJPGS-UHFFFAOYSA-N- Molecular formula
- C9H19NOS
- Average molar mass
- 189.32 g/mol
- Monoisotopic mass
- 189.1187354
Names & identifiers
- Preferred name
- 1-Butan-2-yloxy-N,N-diethyl-methanethioamide
- IUPAC
- O-butan-2-yl N,N-diethylcarbamothioate
- English name
- Diethyl-thiocarbamic acid S-butyl ester
- Molecular formula
- C9H19NOS
- Molecular weight
- 189.32
Names & synonyms
91852-97-01-Butan-2-yloxy-N,N-diethyl-methanethioamideDIETHYL-THIOCARBAMIC ACID S-BUTYL ESTERDTXSID80919489O-Butan-2-yl diethylcarbamothioateO-(Butan-2-yl) diethylcarbamothioateDB-254462
Database identifiers
- CAS
91852-97-0- PubChem CID
- 185136
- DTXSID
DTXSID80919489
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 145 °C · 145 °C(Press: 16 Torr)
- Density
- 0.969 · 0.969±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.199 · -1.199±0.70(predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…