1-methylidene-2-methylsulfanylcyclopentane

C7H12S — CID 143132028

IUPAC1-methylidene-2-methylsulfanylcyclopentane
SMILESC=C1CCCC1SC
InChIInChI=1S/C7H12S/c1-6-4-3-5-7(6)8-2/h7H,1,3-5H2,2H3
InChIKeyDBPNYFPIAXSZTE-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds1

About 1-methylidene-2-methylsulfanylcyclopentane

1-methylidene-2-methylsulfanylcyclopentane (PubChem CID 143132028) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-methylidene-2-methylsulfanylcyclopentane.

Molecular Properties

Compound Name1-methylidene-2-methylsulfanylcyclopentane
PubChem CID143132028
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name1-methylidene-2-methylsulfanylcyclopentane
SMILESC=C1CCCC1SC
InChIInChI=1S/C7H12S/c1-6-4-3-5-7(6)8-2/h7H,1,3-5H2,2H3
InChIKeyDBPNYFPIAXSZTE-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methylidene-2-methylsulfanylcyclopentane?
The IUPAC name of 1-methylidene-2-methylsulfanylcyclopentane (CID 143132028) is 1-methylidene-2-methylsulfanylcyclopentane.
What is the SMILES notation for 1-methylidene-2-methylsulfanylcyclopentane?
The canonical SMILES for 1-methylidene-2-methylsulfanylcyclopentane is C=C1CCCC1SC.
What is the InChIKey of 1-methylidene-2-methylsulfanylcyclopentane?
The InChIKey is DBPNYFPIAXSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-6-4-3-5-7(6)8-2/h7H,1,3-5H2,2H3.
What are the key properties of 1-methylidene-2-methylsulfanylcyclopentane?
1-methylidene-2-methylsulfanylcyclopentane has a molecular weight of 128.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-methylsulfanylcyclopentane is sourced from PubChem (CID 143132028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).