HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Benzyl 1-mercapto-2-methylpropan-2-ylcarbamate

HCID 59614731
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(CS)NC(=O)OCc1ccccc1
InChIKey
RDJXUEGITAVGFA-UHFFFAOYSA-N
Molecular formula
C12H17NO2S
Average molar mass
239.34 g/mol

Names & identifiers

Preferred name
Benzyl 1-mercapto-2-methylpropan-2-ylcarbamate
IUPAC
benzyl N-(2-methyl-1-sulfanylpropan-2-yl)carbamate

Names & synonyms

benzyl 1-mercapto-2-methylpropan-2-ylcarbamateSCHEMBL2187792RDJXUEGITAVGFA-UHFFFAOYSA-N

Database identifiers

PubChem CID
59614731

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
39.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
225

Related reactions

4 records
New reaction record
HRID 150350 reaction equation
HRID 150350As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 178875 reaction equation
HRID 178875As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2061055 reaction equation
HRID 2061055As productuspto-grants-2012_10
HRID 2061056 reaction equation
HRID 2061056As reactantuspto-grants-2012_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes