Basic information
- CAS
91265-79-1- Standard SMILES
CCNc1nnc(-c2ccccc2)s1- InChIKey
UPXFLEWVKLVYFV-UHFFFAOYSA-N- Molecular formula
- C10H11N3S
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.06736854
Names & identifiers
- Preferred name
- N-ethyl-5-phenyl-1,3,4-thiadiazol-2-amine
- IUPAC
- N-ethyl-5-phenyl-1,3,4-thiadiazol-2-amine
- English name
- N-ethyl-5-phenyl-1,3,4-thiadiazol-2-amine
- Molecular formula
- C10H11N3S
- Molecular weight
- 205.28
Names & synonyms
N-ethyl-5-phenyl-1,3,4-thiadiazol-2-amine91265-79-1DTXSID50355471RefChem:363974DTXCID203065311,3,4-Thiadiazol-2-amine, N-ethyl-5-phenyl-Cambridge id 6974609Oprea1_248488HMS1689O11MFCD01821398STK097710AKOS000626027
Show more names
ST500188541,3,4-Thiadiazole, 2-ethylamino-5-phenyl-ethyl(5-phenyl(1,3,4-thiadiazol-2-yl))amineZ57049317
Database identifiers
- CAS
91265-79-1- PubChem CID
- 802256
- DTXSID
DTXSID50355471- Nikkaji
- J3.153.717G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 341 · 341.0±25.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 2.63 · 2.63±0.10(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…