Basic information
- CAS
50539-94-1- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)Sc2ccccc2)c1- InChIKey
MMMGLWYZFBHLJZ-UHFFFAOYSA-N- Molecular formula
- C17H19NO2S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.11365002
Names & identifiers
- Preferred name
- Carbamic acid, methyl(phenylthio)-, m-isopropylphenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-methyl-N-phenylsulfanylcarbamate
Names & synonyms
50539-94-1CARBAMIC ACID, METHYL(PHENYLTHIO)-, m-ISOPROPYLPHENYL ESTERBRN 1998616m-Isopropylphenyl N-methyl-N-phenylsulfenylcarbamateDTXSID60198573RefChem:332520DTXCID201210643-Isopropylphenyl methyl(phenylthio)carbamate(3-propan-2-ylphenyl) N-methyl-N-phenylsulfanylcarbamatestarbld0024039orb1986315AKOS040751001
Show more names
T307103-(propan-2-yl)phenyl methyl(phenylsulfanyl)carbamate
Database identifiers
- CAS
50539-94-1- PubChem CID
- 39716
- DTXSID
DTXSID60198573- Nikkaji
- J69.363D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…