Basic information
- CAS
62604-36-8- Standard SMILES
CCN(CC)C(=S)OC- InChIKey
JEUZJMXPVCUAMW-UHFFFAOYSA-N- Molecular formula
- C6H13NOS
- Average molar mass
- 147.24 g/mol
- Monoisotopic mass
- 147.07178521
Names & identifiers
- Preferred name
- Carbamothioic acid, diethyl-, O-methyl ester
- IUPAC
- O-methyl N,N-diethylcarbamothioate
- English name
- Methyl-D3 N,N-Diethylthiocarbamate
- Molecular formula
- C6H13NOS
- Molecular weight
- 147.24
Names & synonyms
62604-36-8O-methyl N,N-diethylcarbamothioateCarbamothioic acid, diethyl-, O-methyl esterO-methyl diethylcarbamothioateSCHEMBL1051394DTXSID00437110Diethyl-thiocarbamic acid O-methyl esterMethyl-D3 N,N-DiethylthiocarbamateCarbamothioic acid, N,N-diethyl-, O-methyl ester
Database identifiers
- CAS
62604-36-8- PubChem CID
- 10240953
- DTXSID
DTXSID00437110- Nikkaji
- J381.164F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 105.2 · 105.2-105.6 °C(Press: 10 Torr)
- Density
- 1.0078 g/cm3 · 1.0078 g/cm3(Temp: 15 °C)
- pka
- 0.81 · 0.81±0.50(Predicted)
Chemistry & industry
Suppliers2 total
上海甄准生物科技有限公司15800340161 · [email protected]
Medical Isotopes[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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