Carbamic acid, methylthio-, S-(p-tolyl) ester
Basic information
- CAS
16066-90-3- Standard SMILES
CNC(=O)Sc1ccc(C)cc1- InChIKey
QGAUXQOYLNHWDG-UHFFFAOYSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- Carbamic acid, methylthio-, S-(p-tolyl) ester
- IUPAC
- S-(4-methylphenyl) N-methylcarbamothioate
- English name
- Methylthiocarbamic acid S-(4-methylphenyl) ester
- Molecular formula
- C9H11NOS
- Molecular weight
- 181.25
Names & synonyms
16066-90-3TL-1218BRN 1942907CARBAMIC ACID, METHYLTHIO-, S-(p-TOLYL) ESTERCarbamthiolic acid, N-methyl-, p-tolyl esterDTXSID90166962RefChem:332587DTXCID3089453S-(4-methylphenyl) N-methylcarbamothioateMethylthiocarbamic acid S-(4-methylphenyl) esterS-(4-methylphenyl) methylcarbamothioateCarbamothioic acid, methyl-, S-(4-methylphenyl) ester (9CI)
Database identifiers
- CAS
16066-90-3- PubChem CID
- 27669
- DTXSID
DTXSID90166962- Nikkaji
- J33.936I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…