Basic information
- CAS
50539-84-9- Standard SMILES
Cc1cccc(SN(C)C(=O)Oc2ccccc2OC(C)C)c1- InChIKey
ULRREFMZPSEHDU-UHFFFAOYSA-N- Molecular formula
- C18H21NO3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.12421471
Names & identifiers
- Preferred name
- Carbamic acid, methyl((3-methylphenyl)thio)-, 2-(1-methylethoxy)phenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-methyl-N-(3-methylphenyl)sulfanylcarbamate
Names & synonyms
BRN 2009646CARBAMIC ACID, METHYL((3-METHYLPHENYL)THIO)-, 2-(1-METHYLETHOXY)PHENYL ESTER50539-84-9DTXSID70198564((3-Tolyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl esterMethyl((3-methylphenyl)thio)carbamic acid 2-(1-methylethoxy)phenyl esterRefChem:332493DTXCID301210552-[(Propan-2-yl)oxy]phenyl methyl[(3-methylphenyl)sulfanyl]carbamate
Database identifiers
- CAS
50539-84-9- PubChem CID
- 39708
- DTXSID
DTXSID70198564
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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