1-(Methylsulfanylmethyl)cyclopentene

C7H12S — CID 54104763

IUPAC1-(methylsulfanylmethyl)cyclopentene
SMILESCSCC1=CCCC1
InChIInChI=1S/C7H12S/c1-8-6-7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeyZJUIUIHKWOODKJ-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.90
Rot. Bonds2

About 1-(Methylsulfanylmethyl)cyclopentene

1-(Methylsulfanylmethyl)cyclopentene (PubChem CID 54104763) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)cyclopentene.

Molecular Properties

Compound Name1-(Methylsulfanylmethyl)cyclopentene
PubChem CID54104763
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name1-(methylsulfanylmethyl)cyclopentene
SMILESCSCC1=CCCC1
InChIInChI=1S/C7H12S/c1-8-6-7-4-2-3-5-7/h4H,2-3,5-6H2,1H3
InChIKeyZJUIUIHKWOODKJ-UHFFFAOYSA-N
XLogP1.90
TPSA25.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity94

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.90
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-(Methylsulfanylmethyl)cyclopentene?
The IUPAC name of 1-(Methylsulfanylmethyl)cyclopentene (CID 54104763) is 1-(methylsulfanylmethyl)cyclopentene.
What is the SMILES notation for 1-(Methylsulfanylmethyl)cyclopentene?
The canonical SMILES for 1-(Methylsulfanylmethyl)cyclopentene is CSCC1=CCCC1.
What is the InChIKey of 1-(Methylsulfanylmethyl)cyclopentene?
The InChIKey is ZJUIUIHKWOODKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-8-6-7-4-2-3-5-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-(Methylsulfanylmethyl)cyclopentene?
1-(Methylsulfanylmethyl)cyclopentene has a molecular weight of 128.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Methylsulfanylmethyl)cyclopentene is sourced from PubChem (CID 54104763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).