2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane

C8H12S — CID 163864702

IUPAC2-(cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane
SMILESC=S=CCC1=CCCC1
InChIInChI=1S/C8H12S/c1-9-7-6-8-4-2-3-5-8/h4,7H,1-3,5-6H2
InChIKeyPFQZALYATCSHCO-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.00
Rot. Bonds2

About 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane

2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane (PubChem CID 163864702) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane.

Molecular Properties

Compound Name2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane
PubChem CID163864702
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-(cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane
SMILESC=S=CCC1=CCCC1
InChIInChI=1S/C8H12S/c1-9-7-6-8-4-2-3-5-8/h4,7H,1-3,5-6H2
InChIKeyPFQZALYATCSHCO-UHFFFAOYSA-N
XLogP2.00
TPSA1.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity161

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylsulfanylbuta-2,3-dienyl)cyclopentene
CID 134985755
3-(Cyclohexen-1-yl)propanethial
CID 18719768
Cyclohexene-1-carbothialdehyde
CID 54370142
(Cyclopent-1-en-1-yl)methanethiol
CID 57454027
3-(Cyclobuten-1-yl)propanethial
CID 89029737
Methyl-methylidene-(6-methylundec-5-en-3-yl)-lambda4-sulfane
CID 90907192
2-Methylnon-2-enethial
CID 124028761
Methylsulfanylethane;1-propylcyclopentene
CID 142100945
5-(Cyclopenten-1-yl)pentane-1-thiol
CID 163859589
1-(Cyclopenten-1-yl)ethanethione
CID 172145675
1-(Cyclopenten-1-yl)prop-2-ene-1-thiol
CID 173055131
Cyclopentene-1-carbothialdehyde
CID 174843213

Frequently Asked Questions

What is the IUPAC name of 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane?
The IUPAC name of 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane (CID 163864702) is 2-(cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane.
What is the SMILES notation for 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane?
The canonical SMILES for 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane is C=S=CCC1=CCCC1.
What is the InChIKey of 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane?
The InChIKey is PFQZALYATCSHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-9-7-6-8-4-2-3-5-8/h4,7H,1-3,5-6H2.
What are the key properties of 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane?
2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane has a molecular weight of 140.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Cyclopenten-1-yl)ethylidene-methylidene-lambda4-sulfane is sourced from PubChem (CID 163864702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).