1-Bromo-2-[2-chloro-4-(methylsulphenyl)phenyl]acetylene

HCID 19931768
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1ccc(C#CBr)c(Cl)c1
InChIKey
OTPVOLNPIFMJQI-UHFFFAOYSA-N
Molecular formula
C9H6BrClS
Average molar mass
261.57 g/mol

Names & identifiers

Preferred name
1-Bromo-2-[2-chloro-4-(methylsulphenyl)phenyl]acetylene
IUPAC
1-(2-bromoethynyl)-2-chloro-4-methylsulfanylbenzene

Names & synonyms

SCHEMBL8100206OTPVOLNPIFMJQI-UHFFFAOYSA-N1-bromo-2-[2-chloro-4-(methylsulphenyl)phenyl]acetylene

Database identifiers

PubChem CID
19931768

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12

Related reactions

3 records
New reaction record

Linked notes

Loading…