p-Cyanothiobenzoic Acid S-Cyanomethyl Ester

HCID 12898768
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCSC(=O)c1ccc(C#N)cc1
InChIKey
IKUMLKRVMLFCTB-UHFFFAOYSA-N
Molecular formula
C10H6N2OS
Average molar mass
202.23 g/mol

Names & identifiers

Preferred name
p-Cyanothiobenzoic Acid S-Cyanomethyl Ester
IUPAC
S-(cyanomethyl) 4-cyanobenzenecarbothioate

Names & synonyms

SCHEMBL11365610IKUMLKRVMLFCTB-UHFFFAOYSA-Np-Cyanothiobenzoic Acid S-Cyanomethyl Ester

Database identifiers

PubChem CID
12898768

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
90 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

1 records
New reaction record

Linked notes

Loading…