Basic information
- CAS
17959-12-5- Standard SMILES
CSCC(=O)N(C)C(=O)Oc1ccccc1OC(C)C- InChIKey
LALUBJKCIPVVIA-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- Carbamic acid, methyl ((methylthio)acetyl)-, o-isopropoxyphenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-methyl-N-(2-methylsulfanylacetyl)carbamate
- English name
- Methyl[(methylthio)acetyl]carbamic acid o-isopropoxyphenyl ester
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
Upjohn U-2202317959-12-5CARBAMIC ACID, METHYL ((METHYLTHIO)ACETYL)-, o-ISOPROPOXYPHENYL ESTERENT 27,351U-22023NSC 190949BRN 18904902-(1-Methylethoxy)phenyl methyl((methylthio)acetyl)carbamateDTXSID80170836RefChem:332478DTXCID7093327(2-propan-2-yloxyphenyl) N-methyl-N-(2-methylsulfanylacetyl)carbamate
Show more names
ENT-27351NSC-190949Methyl[(methylthio)acetyl]carbamic acid o-isopropoxyphenyl esterCarbamic acid, methyl[(methylthio)acetyl]-, o-isopropoxyphenyl ester (8CI)
T4UR4QE4LFUNII-T4UR4QE4LF2-[(Propan-2-yl)oxy]phenyl methyl[(methylsulfanyl)acetyl]carbamate
Database identifiers
- CAS
17959-12-5- PubChem CID
- 28849
- DTXSID
DTXSID80170836
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 396.3 · 396.3±52.0 °C(Predicted)
- Density
- 1.2461 · 1.2461 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- pka
- -2.43 · -2.43±0.70(Predicted)
- FDA UNII
- 4 UR4QE4LF · T4UR4QE4LF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…