Basic information
- CAS
50539-92-9- Standard SMILES
CSN(C)C(=O)Oc1ccccc1OC(C)C- InChIKey
PMVQDRMRDPCCHD-UHFFFAOYSA-N- Molecular formula
- C12H17NO3S
- Average molar mass
- 255.34 g/mol
- Monoisotopic mass
- 255.09291458
Names & identifiers
- Preferred name
- Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-methyl-N-methylsulfanylcarbamate
Names & synonyms
BRN 1983671CARBAMIC ACID, METHYL(METHYLTHIO)-, 2-(1-METHYLETHOXY)PHENYL ESTER50539-92-9Methyl(methylthio)carbamic acid 2-(1-methylethoxy)phenyl esterDTXSID00198572RefChem:332517DTXCID601210632-[(Propan-2-yl)oxy]phenyl methyl(methylsulfanyl)carbamate
Database identifiers
- CAS
50539-92-9- PubChem CID
- 39715
- DTXSID
DTXSID00198572
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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