Tert-butyl [2-(benzylthio)-3,3-dimethoxypropyl]carbamate

HCID 59136115
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Basic information

Standard SMILES
COC(OC)C(CNC(=O)OC(C)(C)C)SCc1ccccc1
InChIKey
SUQICRLFSYAAMK-UHFFFAOYSA-N
Molecular formula
C17H27NO4S
Average molar mass
341.5 g/mol
Monoisotopic mass
341.16607952

Names & identifiers

Preferred name
Tert-butyl [2-(benzylthio)-3,3-dimethoxypropyl]carbamate
IUPAC
tert-butyl N-(2-benzylsulfanyl-3,3-dimethoxypropyl)carbamate

Names & synonyms

SCHEMBL13203992SUQICRLFSYAAMK-UHFFFAOYSA-Ntert-butyl[2-(benzylthio)-3,3-dimethoxypropyl]carbamatetert-butyl [2-(benzylthio)-3,3-dimethoxypropyl]carbamate

Database identifiers

PubChem CID
59136115

Properties

Computed structural properties

XLogP
3
Topological polar surface area
82.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
23

Related reactions

10 records
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Compound notes

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