Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester
Basic information
- CAS
50539-88-3- Standard SMILES
CC(C)Oc1ccccc1OC(=O)N(C)Sc1ccc(C(C)(C)C)cc1- InChIKey
BXFRCWBNHXCXBR-UHFFFAOYSA-N- Molecular formula
- C21H27NO3S
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.1711649
Names & identifiers
- Preferred name
- Carbamic acid, ((p-tert-butylphenyl)thio)methyl-, o-isopropoxyphenyl ester
- IUPAC
- (2-propan-2-yloxyphenyl) N-(4-tert-butylphenyl)sulfanyl-N-methylcarbamate
Names & synonyms
N-((4-tert-Butylphenyl)thio)propoxurCARBAMIC ACID, ((p-tert-BUTYLPHENYL)THIO)METHYL-, o-ISOPROPOXYPHENYL ESTER50539-88-32-Isopropoxyphenyl N(p-tert-butylphenylsulfenyl)-N-methylcarbamateDTXSID10198568RefChem:331725DTXCID701210592-[(Propan-2-yl)oxy]phenyl [(4-tert-butylphenyl)sulfanyl](methyl)carbamate
Database identifiers
- CAS
50539-88-3- PubChem CID
- 3033009
- DTXSID
DTXSID10198568
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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