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

1-Bromo-2-(4-chloro-2-methyl-phenylsulfanyl)-benzene

HCID 68684292
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(Cl)ccc1Sc1ccccc1Br
InChIKey
CDASAJSIAMIIEP-UHFFFAOYSA-N
Molecular formula
C13H10BrClS
Average molar mass
313.64 g/mol

Names & identifiers

Preferred name
1-Bromo-2-(4-chloro-2-methyl-phenylsulfanyl)-benzene
IUPAC
1-(2-bromophenyl)sulfanyl-4-chloro-2-methylbenzene

Names & synonyms

SCHEMBL3545049CDASAJSIAMIIEP-UHFFFAOYSA-N1-Bromo-2-(4-chloro-2-methyl-phenylsulfanyl)-benzene

Database identifiers

PubChem CID
68684292

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
224

Related reactions

2 records
New reaction record
HRID 15198 reaction equation
HRID 15198As productuspto-grants-2010_06
HRID 1116793 reaction equation
HRID 1116793As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes