Basic information
- CAS
32991-48-3- Standard SMILES
O=C(O)CSc1nc(-c2ccccc2)ns1- InChIKey
QUEAUAPFDVCMFQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Names & identifiers
- Preferred name
- Acetic acid, (3-phenyl-1,2,4-thiadiazol-5-yl)thio-
- IUPAC
- 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
- English name
- [(3-Phenyl-1,2,4-thiadiazol-5-yl)thio]acetic acid
- Molecular weight
- 0
Names & synonyms
32991-48-3NC 9634BRN 0532700ACETIC ACID, (3-PHENYL-1,2,4-THIADIAZOL-5-YL)THIO-((3-Phenyl-1,2,4-thiadiazol-5-yl)thio)acetic acidDTXSID90186625RefChem:316211DTXCID301091162-((3-Phenyl-1,2,4-thiadiazol-5-yl)thio)acetic acidSCHEMBL11520230QUEAUAPFDVCMFQ-UHFFFAOYSA-N(3-phenyl-1,2,4-thiadiazol-5-ylthio)acetic acid
Show more names
NC-9634[(3-Phenyl-1,2,4-thiadiazol-5-yl)thio]acetic acid
2-((3-Phenyl-1,2,4-thiadiazol-5-yl)thio)aceticacid[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
Database identifiers
- CAS
32991-48-3- PubChem CID
- 36296
- DTXSID
DTXSID90186625- Nikkaji
- J55.324G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
1 records
Compound notes
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