4-[(Carboxymethyl)sulfanyl]butanoic acid

Base Information

• Chemical Name: 4-[(Carboxymethyl)sulfanyl]butanoic acid
• CAS No.: 60213-85-6
• Molecular Formula: C6H10O4S
• Molecular Weight: 178.20600
• DSSTox Substance ID: DTXSID70708501
• Wikidata: Q82642862
• Mol file: 60213-85-6.mol

Synonyms:60213-85-6;4-[(Carboxymethyl)sulfanyl]butanoic acid;SCHEMBL11651204;DTXSID70708501;LDUNOJQGMQTSIY-UHFFFAOYSA-N;4-((carboxymethyl)thio)butanoic acid

Chemical Property of 4-[(Carboxymethyl)sulfanyl]butanoic acid

Chemical Property:

• PSA: 99.90000
• LogP: 0.66900
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 178.02997997
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)CSCC(=O)O