Basic information
- CAS
64145-10-4- Standard SMILES
CCOC(=O)CSc1nnc(-c2ccccc2)s1- InChIKey
AOPZIMQUPVBBKF-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.03401998
Names & identifiers
- Preferred name
- Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-YL)thio)-, ethyl ester
- IUPAC
- ethyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Names & synonyms
ACETIC ACID, ((5-PHENYL-1,3,4-THIADIAZOL-2-YL)THIO)-, ETHYL ESTER64145-10-4L 1544BRN 0258089((5-Phenyl-1,3,4-thiadiazol-2-yl)thio)acetic acid ethyl ester(5-Fenil-1,3,4-tiadiazol-2-il-mercapto)-acetato etilico [Italian](5-Fenil-1,3,4-tiadiazol-2-il-mercapto)-acetato etilicoDTXSID30214355AKOS002238734ST50755489ethyl 2-(5-phenyl-1,3,4-thiadiazol-2-ylthio)acetateEthyl [(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Database identifiers
- CAS
64145-10-4- PubChem CID
- 47306
- DTXSID
DTXSID30214355- Nikkaji
- J86.273H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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