Basic information
- CAS
2410-09-5- Standard SMILES
CSc1c(C)cc(OC(=O)NCC(C)=O)cc1C- InChIKey
CCJQRCGJRGCHNT-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- Carbamic acid, acetylmethyl-, 4-(methylthio)-3,5-xylyl ester
- IUPAC
- (3,5-dimethyl-4-methylsulfanylphenyl) N-(2-oxopropyl)carbamate
- English name
- N-Acetyl-N-methylcarbamic acid 3,5-dimethyl-4-(methylthio)phenyl ester
- Molecular weight
- 0
Names & synonyms
2410-09-5Carbamic acid, acetylmethyl-, 4-(methylthio)-3,5-xylyl esterRefChem:1080867BRN 2058836OMS-9764-Methylthio-3,5-xylyl N-acetyl-N-methylcarbamateDTXSID009469343,5-Dimethyl-4-(methylsulfanyl)phenyl hydrogen (2-oxopropyl)carbonimidateN-Acetyl-N-methylcarbamic acid 3,5-dimethyl-4-(methylthio)phenyl ester
Database identifiers
- CAS
2410-09-5- PubChem CID
- 75482
- DTXSID
DTXSID00946934
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…