Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-
Basic information
- CAS
64145-06-8- Standard SMILES
O=C(O)CSc1nnc(-c2ccccc2)s1- InChIKey
KASGLGRECIHPOP-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Names & identifiers
- Preferred name
- Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-
- IUPAC
- 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Names & synonyms
64145-06-8ACETIC ACID, ((5-PHENYL-1,3,4-THIADIAZOL-2-YL)THIO)-L 1543BRN 0020464((5-Phenyl-1,3,4-thiadiazol-2-yl)thio)acetic acidDTXSID70214354Acido (5-fenil-1,3,4-tiadiazol-2-il-mercapto)-acetico [Italian]Acido (5-fenil-1,3,4-tiadiazol-2-il-mercapto)-aceticoRefChem:316031DTXCID701368454-27-00-07342 (Beilstein Handbook Reference)2-((5-Phenyl-1,3,4-thiadiazol-2-yl)thio)acetic acid
Show more names
AKOS003678248[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Database identifiers
- CAS
64145-06-8- PubChem CID
- 47305
- DTXSID
DTXSID70214354- Nikkaji
- J86.272J
Properties
Computed structural properties
- XLogP
- 1.7
- 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
0 records
No reaction records under the current filter.
Compound notes
Loading…