4-methylcyclopentane-1,3-dithione

C6H8S2 — CID 137473199

IUPAC4-methylcyclopentane-1,3-dithione
SMILESCC1CC(=S)CC1=S
InChIInChI=1S/C6H8S2/c1-4-2-5(7)3-6(4)8/h4H,2-3H2,1H3
InChIKeyGRHXBUBYHPADET-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.16
Rot. Bonds

About 4-methylcyclopentane-1,3-dithione

4-methylcyclopentane-1,3-dithione (PubChem CID 137473199) has the molecular formula C6H8S2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 4-methylcyclopentane-1,3-dithione.

Molecular Properties

Compound Name4-methylcyclopentane-1,3-dithione
PubChem CID137473199
Molecular FormulaC6H8S2
Molecular Weight144.26 g/mol
Exact Mass144.01
IUPAC Name4-methylcyclopentane-1,3-dithione
SMILESCC1CC(=S)CC1=S
InChIInChI=1S/C6H8S2/c1-4-2-5(7)3-6(4)8/h4H,2-3H2,1H3
InChIKeyGRHXBUBYHPADET-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopentane-1,3-dithione?
The IUPAC name of 4-methylcyclopentane-1,3-dithione (CID 137473199) is 4-methylcyclopentane-1,3-dithione.
What is the SMILES notation for 4-methylcyclopentane-1,3-dithione?
The canonical SMILES for 4-methylcyclopentane-1,3-dithione is CC1CC(=S)CC1=S.
What is the InChIKey of 4-methylcyclopentane-1,3-dithione?
The InChIKey is GRHXBUBYHPADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S2/c1-4-2-5(7)3-6(4)8/h4H,2-3H2,1H3.
What are the key properties of 4-methylcyclopentane-1,3-dithione?
4-methylcyclopentane-1,3-dithione has a molecular weight of 144.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopentane-1,3-dithione is sourced from PubChem (CID 137473199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).