5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

C8H12S — CID 90900577

IUPAC5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1CC2C=CSC2C1
InChIInChI=1S/C8H12S/c1-6-4-7-2-3-9-8(7)5-6/h2-3,6-8H,4-5H2,1H3
InChIKeyGFQVNAIDJHGDMR-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.66
Rot. Bonds

About 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene

5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 90900577) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID90900577
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESCC1CC2C=CSC2C1
InChIInChI=1S/C8H12S/c1-6-4-7-2-3-9-8(7)5-6/h2-3,6-8H,4-5H2,1H3
InChIKeyGFQVNAIDJHGDMR-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 15131266
5-Fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 72745753
5-(Butylthio)-2-norbornene
CID 129809750
CID 11826183
CID 11826183
5-Ethylsulfanylbicyclo[2.2.1]hept-2-ene
CID 21426231
4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 57005430
2,3-Diethyl-2,3-dihydrothiophene
CID 57188312
5-Methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 67388504
3,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 90755630
5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 90901752
5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 91267388
2-Bicyclo[2.2.1]hept-5-enyl(trimethyl)-lambda4-sulfane
CID 126669398

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 90900577) is 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is CC1CC2C=CSC2C1.
What is the InChIKey of 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is GFQVNAIDJHGDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6-4-7-2-3-9-8(7)5-6/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 140.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 90900577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).