Basic information
- CAS
21521-73-3- Standard SMILES
CCOC(=O)Nc1nnc(SC(=O)OCC)s1- InChIKey
VHIGDMHBSGYTSE-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4S2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.01909819
Names & identifiers
- Preferred name
- S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
- IUPAC
- ethyl [5-(ethoxycarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylformate
- English name
- S-[5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonate
- Molecular formula
- C8H11N3O4S2
- Molecular weight
- 277.32
Names & synonyms
21521-73-3S-(5-((Ethoxycarbonyl)amino)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonateS-[5-[(ETHOXYCARBONYL)AMINO]-1,3,4-THIADIAZOL-2-YL] O-ETHYL THIOCARBONATEEINECS 244-417-88V8Z8DGW4BSCHEMBL17865756DTXSID20175860VHIGDMHBSGYTSE-UHFFFAOYSA-NNS00026891Carbonothioic acid, S-[5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl] O-ethyl esterS-{5-[(Ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl} O-ethyl carbonothioateS[5-(Ethoxycarbonyl)amino]-1,3,4-thiadizol-2-yl]O-ethylthiocarbonat
Show more names
Thiocarbonic acid S-[5-[(ethoxycarbonyl)amino]-1,3,4-thiadiazol-2-yl]O-ethyl ester
Database identifiers
- CAS
21521-73-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 150 · 150-152 °C
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 5.48 · 5.48±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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