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

C7H10S — CID 57005430

IUPAC4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESC1=CC2CCCC2S1
InChIInChI=1S/C7H10S/c1-2-6-4-5-8-7(6)3-1/h4-7H,1-3H2
InChIKeyDJWZDHXOXFZUEQ-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.42
Rot. Bonds

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

4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (PubChem CID 57005430) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
PubChem CID57005430
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
SMILESC1=CC2CCCC2S1
InChIInChI=1S/C7H10S/c1-2-6-4-5-8-7(6)3-1/h4-7H,1-3H2
InChIKeyDJWZDHXOXFZUEQ-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Thiabicyclo[3.2.1]oct-3-ene
CID 144455
5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 90900577
5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 91267388
4,5,6,6a-tetrahydro-1H-cyclopenta[c]thiophene
CID 130196604

Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene (CID 57005430) is 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene.
What is the SMILES notation for 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The canonical SMILES for 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is C1=CC2CCCC2S1.
What is the InChIKey of 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
The InChIKey is DJWZDHXOXFZUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-2-6-4-5-8-7(6)3-1/h4-7H,1-3H2.
What are the key properties of 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene?
4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene has a molecular weight of 126.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene is sourced from PubChem (CID 57005430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).