Basic information
- CAS
35686-14-7- Standard SMILES
CCc1cscc1CC- InChIKey
KWMRVTDUWMBHRV-UHFFFAOYSA-N- Molecular formula
- C8H12S
- Average molar mass
- 140.25 g/mol
- Monoisotopic mass
- 140.06597156
Overview
3,4-Diethylthiophene is a heteroarene.
Names & identifiers
- Preferred name
- 3,4-Diethylthiophene
- IUPAC
- 3,4-diethylthiophene
- English name
- Thiophene, 3,4-diethyl-
- Molecular formula
- C8H12S
- Molecular weight
- 140.25
Names & synonyms
3,4-Diethylthiophene35686-14-7Thiophene, 3,4-diethyl-UNII-1VA6H491OV1VA6H491OVDTXSID10334449RefChem:91060DTXCID20285539KWMRVTDUWMBHRV-UHFFFAOYSA-N3,4-diethyl thiophene3,4-diethyl-thiophene3,4-Diethylthiophene #
Show more names
SCHEMBL983719SCHEMBL2974014CHEBI:195866MFCD18451712AKOS006373006Q27252951
Database identifiers
- CAS
35686-14-7- PubChem CID
- 520753
- DTXSID
DTXSID10334449- ChEBI
CHEBI:195866- UNII
- 1VA6H491OV
- Nikkaji
- J509.154C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 70.6
Physicochemical properties
- Boiling point
- 185 · 185-187 °C
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- LogP
- 3.879 · 3.879 (est)
- FDA UNII
- 1 VA6H491OV · 1VA6H491OV
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
广州凯途化学有限公司18933936954 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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