Basic information
- CAS
1004643-47-3- Standard SMILES
CCn1cc(-c2n[nH]c(=S)o2)cn1- InChIKey
QKERKSQQEPULNN-UHFFFAOYSA-N- Molecular formula
- C7H8N4OS
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.04188206
Names & identifiers
- Preferred name
- 5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(1-ethylpyrazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(1-Ethyl-1H-pyrazol-4-yl)-[1,3,4]oxadiazole-2-thiol
- Molecular formula
- C7H8N4OS
- Molecular weight
- 196.23
Names & synonyms
5-(1-ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-thiol1004643-47-3MFCD049699625-(1-ethylpyrazol-4-yl)-3H-1,3,4-oxadiazole-2-thione5-(1-Ethyl-1H-pyrazol-4-yl)-[1,3,4]oxadiazole-2-thiol5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole-2-thiolDTXSID101195110SBB022219STK312845AKOS000310242CS-0298414ST45091981
Show more names
AKOS B020834ART-CHEM-BB B020834
EN300-2296905-(1-Ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2(3H)-thione
Database identifiers
- CAS
1004643-47-3- PubChem CID
- 7017705
- DTXSID
DTXSID101195110
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
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
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