2,3,5,5-tetramethyl-2H-thiophene

C8H14S — CID 23334142

IUPAC2,3,5,5-tetramethyl-2H-thiophene
SMILESCC1=CC(C)(C)SC1C
InChIInChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5,7H,1-4H3
InChIKeyBYTRHGPNJCBWDX-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds

About 2,3,5,5-tetramethyl-2H-thiophene

2,3,5,5-tetramethyl-2H-thiophene (PubChem CID 23334142) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2,3,5,5-tetramethyl-2H-thiophene.

Molecular Properties

Compound Name2,3,5,5-tetramethyl-2H-thiophene
PubChem CID23334142
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2,3,5,5-tetramethyl-2H-thiophene
SMILESCC1=CC(C)(C)SC1C
InChIInChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5,7H,1-4H3
InChIKeyBYTRHGPNJCBWDX-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2,3-Dihydro-5-methyl-3-thiophenethiol
CID 20362516
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
5-Butyl-2,3-dihydrothiophene
CID 11062496
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
4,5-Dimethyl-2,3-dihydrothiophene
CID 14041180
5-Tert-butyl-2,3-dihydrothiophene
CID 15191430
3-Ethylthio-3-hexene
CID 15905675
Methylcyclopenta[b]thiophene
CID 21095561
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetramethyl-2H-thiophene?
The IUPAC name of 2,3,5,5-tetramethyl-2H-thiophene (CID 23334142) is 2,3,5,5-tetramethyl-2H-thiophene.
What is the SMILES notation for 2,3,5,5-tetramethyl-2H-thiophene?
The canonical SMILES for 2,3,5,5-tetramethyl-2H-thiophene is CC1=CC(C)(C)SC1C.
What is the InChIKey of 2,3,5,5-tetramethyl-2H-thiophene?
The InChIKey is BYTRHGPNJCBWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6-5-8(3,4)9-7(6)2/h5,7H,1-4H3.
What are the key properties of 2,3,5,5-tetramethyl-2H-thiophene?
2,3,5,5-tetramethyl-2H-thiophene has a molecular weight of 142.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetramethyl-2H-thiophene is sourced from PubChem (CID 23334142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).