Basic information
- CAS
88124-58-7- Standard SMILES
CCOC(=O)Cc1nnc(NC(=O)CCl)s1- InChIKey
XXTFFKWINXBCCY-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O3S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0131401
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole-2-acetic acid, 5-[(chloroacetyl)amino]-, ethyl ester
- IUPAC
- ethyl 2-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate
Names & synonyms
88124-58-71,3,4-Thiadiazole-2-acetic acid, 5-[(chloroacetyl)amino]-, ethyl esterDTXSID70341715XXTFFKWINXBCCY-UHFFFAOYSA-N[5-(2-Chloro-acetylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl esterEthyl [5-(2-chloroacetamido)-1,3,4-thiadiazol-2-yl]acetateEthyl (5-[(chloroacetyl)amino]-1,3,4-thiadiazol-2-yl)acetate #
Database identifiers
- CAS
88124-58-7- PubChem CID
- 575249
- DTXSID
DTXSID70341715
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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