Basic information
- CAS
84384-95-2- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)S(=O)OCCc2ccccn2)c1- InChIKey
NGBSGOAYCXNBNX-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13002836
Names & identifiers
- Preferred name
- Carbamic acid, methyl((2-(2-pyridinyl)ethoxy)sulfinyl)-, 3-(1-methylethyl)phenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-methyl-N-(2-pyridin-2-ylethoxysulfinyl)carbamate
Names & synonyms
84384-95-2Methyl((2-(2-pyridinyl)ethoxy)sulfinyl)carbamic acid 3-(1-methylethyl)phenyl esterCarbamic acid, methyl((2-(2-pyridinyl)ethoxy)sulfinyl)-, 3-(1-methylethyl)phenyl esterRefChem:332484SCHEMBL11263834DTXSID0010046593-(Propan-2-yl)phenyl methyl{[2-(pyridin-2-yl)ethoxy]sulfinyl}carbamate
Database identifiers
- CAS
84384-95-2- PubChem CID
- 55249
- DTXSID
DTXSID001004659
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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