1-methylsulfanyl-1-propylcyclopropane

C7H14S — CID 67831862

IUPAC1-methylsulfanyl-1-propylcyclopropane
SMILESCCCC1(SC)CC1
InChIInChI=1S/C7H14S/c1-3-4-7(8-2)5-6-7/h3-6H2,1-2H3
InChIKeyGALKLOVUBYEYCX-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds3

About 1-methylsulfanyl-1-propylcyclopropane

1-methylsulfanyl-1-propylcyclopropane (PubChem CID 67831862) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-methylsulfanyl-1-propylcyclopropane.

Molecular Properties

Compound Name1-methylsulfanyl-1-propylcyclopropane
PubChem CID67831862
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-methylsulfanyl-1-propylcyclopropane
SMILESCCCC1(SC)CC1
InChIInChI=1S/C7H14S/c1-3-4-7(8-2)5-6-7/h3-6H2,1-2H3
InChIKeyGALKLOVUBYEYCX-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-propylcyclopropane?
The IUPAC name of 1-methylsulfanyl-1-propylcyclopropane (CID 67831862) is 1-methylsulfanyl-1-propylcyclopropane.
What is the SMILES notation for 1-methylsulfanyl-1-propylcyclopropane?
The canonical SMILES for 1-methylsulfanyl-1-propylcyclopropane is CCCC1(SC)CC1.
What is the InChIKey of 1-methylsulfanyl-1-propylcyclopropane?
The InChIKey is GALKLOVUBYEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-3-4-7(8-2)5-6-7/h3-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-1-propylcyclopropane?
1-methylsulfanyl-1-propylcyclopropane has a molecular weight of 130.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-propylcyclopropane is sourced from PubChem (CID 67831862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).