1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene

C11H14S — CID 21096799

IUPAC1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene
SMILESCC1=C(C)C2=C(C)SC(C)C2=C1
InChIInChI=1S/C11H14S/c1-6-5-10-8(3)12-9(4)11(10)7(6)2/h5,8H,1-4H3
InChIKeyFLAWRQAYZCCMFY-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.67
Rot. Bonds

About 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene

1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene (PubChem CID 21096799) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene
PubChem CID21096799
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene
SMILESCC1=C(C)C2=C(C)SC(C)C2=C1
InChIInChI=1S/C11H14S/c1-6-5-10-8(3)12-9(4)11(10)7(6)2/h5,8H,1-4H3
InChIKeyFLAWRQAYZCCMFY-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Tetrahydrobenzo[b]thiophene
CID 18315883
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
4-Methyl-2-pentyl-2,5-dihydrothiophene
CID 57702316
Dihydro 6h cyclopenta[b]thiophen
CID 89374432
5,6-Trimethylenethiapyran
CID 129785952
2-Methyl-1-(2-methyl-1-prop-2-enylsulfanylprop-2-enyl)cyclopenta-1,3-diene
CID 134360824
Ethylfurfuryl sulfide
CID 528326
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
2-Ethyl-5-methylcyclopenta[b]thiophene
CID 129764228
Dithienothiocine
CID 129787712

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene?
The IUPAC name of 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene (CID 21096799) is 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene is CC1=C(C)C2=C(C)SC(C)C2=C1.
What is the InChIKey of 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene?
The InChIKey is FLAWRQAYZCCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-6-5-10-8(3)12-9(4)11(10)7(6)2/h5,8H,1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene?
1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-1H-cyclopenta[c]thiophene is sourced from PubChem (CID 21096799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).