Basic information
- CAS
915920-35-3- Standard SMILES
CCc1ccc(OC(C)c2nnc(N)s2)cc1- InChIKey
YNXINTUMCSZUOG-UHFFFAOYSA-N- Molecular formula
- C12H15N3OS
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.09358328
Names & identifiers
- Preferred name
- 5-[1-(4-Ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
- English name
- CHEMBRDG-BB 4024376
- Molecular formula
- C12H15N3OS
- Molecular weight
- 249.33
Names & synonyms
915920-35-35-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine5-(1-(4-Ethylphenoxy)ethyl)-1,3,4-thiadiazol-2-amineMFCD06496608DTXSID10406276AKOS003588061AKOS016341052BS-36483F310122CHEMBRDG-BB 40243761,3,4-Thiadiazol-2-amine, 5-[1-(4-ethylphenoxy)ethyl]-5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
Database identifiers
- CAS
915920-35-3- PubChem CID
- 4739331
- DTXSID
DTXSID10406276
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 429.8 · 429.8±47.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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