Basic information
- CAS
50539-86-1- Standard SMILES
Cc1ccc(SCNC(=O)Oc2ccccc2OC(C)C)c(C)c1- InChIKey
FJASKIACBNWIMG-UHFFFAOYSA-N- Molecular formula
- C19H23NO3S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.13986477
Names & identifiers
- Preferred name
- Carbamic acid, ((2,4-dimethylphenyl)thio)methyl-, 2-(1-methylethoxy)phenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate
Names & synonyms
BRN 201330950539-86-1CARBAMIC ACID, ((2,4-DIMETHYLPHENYL)THIO)METHYL-, 2-(1-METHYLETHOXY)PHENYL ESTER((2,4-Xylyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl esterDTXSID90198566((2,4-Dimethylphenyl)thio)methylcarbamic acid 2-(1-methylethoxy)phenyl esterRefChem:331673DTXCID501210572-[(Propan-2-yl)oxy]phenyl {[(2,4-dimethylphenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-86-1- PubChem CID
- 39710
- DTXSID
DTXSID90198566
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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