1-methylsulfanylpent-4-en-2-ylcyclopropane

C9H16S — CID 130382687

IUPAC1-methylsulfanylpent-4-en-2-ylcyclopropane
SMILESC=CCC(CSC)C1CC1
InChIInChI=1S/C9H16S/c1-3-4-9(7-10-2)8-5-6-8/h3,8-9H,1,4-7H2,2H3
InChIKeyOJACBZHCRFICTL-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.95
Rot. Bonds5

About 1-methylsulfanylpent-4-en-2-ylcyclopropane

1-methylsulfanylpent-4-en-2-ylcyclopropane (PubChem CID 130382687) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 1-methylsulfanylpent-4-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-methylsulfanylpent-4-en-2-ylcyclopropane
PubChem CID130382687
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name1-methylsulfanylpent-4-en-2-ylcyclopropane
SMILESC=CCC(CSC)C1CC1
InChIInChI=1S/C9H16S/c1-3-4-9(7-10-2)8-5-6-8/h3,8-9H,1,4-7H2,2H3
InChIKeyOJACBZHCRFICTL-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
CID 129270932
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
2,3-Dipropyl-2,3-dihydrothiophene
CID 57085985
2,3-Diethyl-2,3-dihydrothiophene
CID 57188312
2-(Cyclopropylmethyl)-2,3-dihydrothiophene
CID 57301880
(Z)-6-methyl-1-(2-methylpropylsulfanyl)hept-1-ene
CID 57892134
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpent-4-en-2-ylcyclopropane?
The IUPAC name of 1-methylsulfanylpent-4-en-2-ylcyclopropane (CID 130382687) is 1-methylsulfanylpent-4-en-2-ylcyclopropane.
What is the SMILES notation for 1-methylsulfanylpent-4-en-2-ylcyclopropane?
The canonical SMILES for 1-methylsulfanylpent-4-en-2-ylcyclopropane is C=CCC(CSC)C1CC1.
What is the InChIKey of 1-methylsulfanylpent-4-en-2-ylcyclopropane?
The InChIKey is OJACBZHCRFICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-3-4-9(7-10-2)8-5-6-8/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-methylsulfanylpent-4-en-2-ylcyclopropane?
1-methylsulfanylpent-4-en-2-ylcyclopropane has a molecular weight of 156.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpent-4-en-2-ylcyclopropane is sourced from PubChem (CID 130382687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).