Basic information
- CAS
14128-37-1- Standard SMILES
CNC(=S)OCC(C)C- InChIKey
PVOYFKUVGNEGHT-UHFFFAOYSA-N- Molecular formula
- C6H13NOS
- Average molar mass
- 147.24 g/mol
- Monoisotopic mass
- 147.07178521
Overview
structure in first source
Names & identifiers
- Preferred name
- O-Isobutyl-N-methylthionocarbamate
- IUPAC
- O-(2-methylpropyl) N-methylcarbamothioate
- English name
- O-isobutyl-N-methylthionocarbamate
- Molecular weight
- 0
Names & synonyms
O-Isobutyl-N-methylthionocarbamate14128-37-1DTXSID00161620IBNMTCMRefChem:167225DTXCID8084111carbamothioic acid, methyl-, O-(2-methylpropyl ester)O-Isobutyl methylthiocarbamateO-(2-Methylpropyl) methylcarbamothioateCarbamothioic acid, methyl-, O-(2-methylpropyl) esterCarbamic acid, methylthio-, O-isobutyl esterBRN 2038554
Show more names
O-(2-methylpropyl) N-methylcarbamothioateSCHEMBL6542865AKOS006352939Methylcarbamothioic acid, O-isobutyl esterMethyl-O-(2-methylpropyl) ester of carbamothioic acid
Database identifiers
- CAS
14128-37-1- PubChem CID
- 3036636
- DTXSID
DTXSID00161620- Nikkaji
- J591.522H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Carbamothioic acid, N-methyl-, O-(2-methylpropyl) ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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