3-methylcyclopentene;sulfane

C6H12S — CID 90110103

IUPAC3-methylcyclopentene;sulfane
SMILESCC1C=CCC1.S
InChIInChI=1S/C6H10.H2S/c1-6-4-2-3-5-6;/h2,4,6H,3,5H2,1H3;1H2
InChIKeyKTSQBKLTVKESGJ-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.09
Rot. Bonds

About 3-methylcyclopentene;sulfane

3-methylcyclopentene;sulfane (PubChem CID 90110103) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 3-methylcyclopentene;sulfane.

Molecular Properties

Compound Name3-methylcyclopentene;sulfane
PubChem CID90110103
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name3-methylcyclopentene;sulfane
SMILESCC1C=CCC1.S
InChIInChI=1S/C6H10.H2S/c1-6-4-2-3-5-6;/h2,4,6H,3,5H2,1H3;1H2
InChIKeyKTSQBKLTVKESGJ-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentene;sulfane?
The IUPAC name of 3-methylcyclopentene;sulfane (CID 90110103) is 3-methylcyclopentene;sulfane.
What is the SMILES notation for 3-methylcyclopentene;sulfane?
The canonical SMILES for 3-methylcyclopentene;sulfane is CC1C=CCC1.S.
What is the InChIKey of 3-methylcyclopentene;sulfane?
The InChIKey is KTSQBKLTVKESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.H2S/c1-6-4-2-3-5-6;/h2,4,6H,3,5H2,1H3;1H2.
What are the key properties of 3-methylcyclopentene;sulfane?
3-methylcyclopentene;sulfane has a molecular weight of 116.23 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentene;sulfane is sourced from PubChem (CID 90110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).