Acetic acid, [(4,5-dihydro-4-methyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-
Basic information
- CAS
573948-30-8- Standard SMILES
Cn1nc(SCC(=O)O)sc1=S- InChIKey
UQTGXSUVDVXKIP-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2S3
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 221.95914096
Names & identifiers
- Preferred name
- Acetic acid, [(4,5-dihydro-4-methyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-
- IUPAC
- 2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Names & synonyms
573948-30-82-((4-Methyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)acetic acidMLS000040584HMS2415I04Acetic acid, [(4,5-dihydro-4-methyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-CHEMBL1351594DTXSID50349810STL361906AKOS022112363SMR000043510[(4-Methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid[(4-methyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Database identifiers
- CAS
573948-30-8- PubChem CID
- 662907
- DTXSID
DTXSID50349810- ChEMBL
CHEMBL1351594
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
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Related reactions
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Compound notes
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