Basic information
- CAS
64145-14-8- Standard SMILES
CCOC(=O)CS(=O)(=O)c1nnc(-c2ccccc2)s1- InChIKey
JAIIRUBKMWLGHL-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.02384922
Names & identifiers
- Preferred name
- Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfonyl]acetate
Names & synonyms
L 1545BRN 0040396ACETIC ACID, ((5-PHENYL-1,3,4-THIADIAZOL-2-YL)SULFONYL)-, ETHYL ESTER64145-14-8DTXSID90214356((5-Phenyl-1,3,4-thiadiazol-2-yl)sulfonyl)acetic acid ethyl ester(5-Fenil-1,3,4-tiadiazol-2-ilsulfonil)-acetato etilico [Italian]4-27-00-07343 (Beilstein Handbook Reference)(5-Fenil-1,3,4-tiadiazol-2-ilsulfonil)-acetato etilicoRefChem:316030DTXCID90136847Ethyl (5-phenyl-1,3,4-thiadiazole-2-sulfonyl)acetate
Database identifiers
- CAS
64145-14-8- PubChem CID
- 47307
- DTXSID
DTXSID90214356- Nikkaji
- J86.271A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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