4-(Carboxymethylthio)-3-oxobutanoic acid

HCID 57480577
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CSCC(=O)CC(=O)O
InChIKey
RBUNENAROKKSDS-UHFFFAOYSA-N
Molecular formula
C6H8O5S
Average molar mass
192.19 g/mol
Monoisotopic mass
192.00924453

Names & identifiers

Preferred name
4-(Carboxymethylthio)-3-oxobutanoic acid
IUPAC
4-(carboxymethylsulfanyl)-3-oxobutanoic acid

Names & synonyms

SCHEMBL1323505RBUNENAROKKSDS-UHFFFAOYSA-N4-(carboxymethylthio)-3-oxobutanoic acid

Database identifiers

PubChem CID
57480577

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
12

Related reactions

2 records
New reaction record

Compound notes

Loading…