butan-2-ylsulfanylcyclopropane

C7H14S — CID 59881925

IUPACbutan-2-ylsulfanylcyclopropane
SMILESCCC(C)SC1CC1
InChIInChI=1S/C7H14S/c1-3-6(2)8-7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyDWRNEZSALFWUFE-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.68
Rot. Bonds3

About butan-2-ylsulfanylcyclopropane

butan-2-ylsulfanylcyclopropane (PubChem CID 59881925) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is butan-2-ylsulfanylcyclopropane.

Molecular Properties

Compound Namebutan-2-ylsulfanylcyclopropane
PubChem CID59881925
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Namebutan-2-ylsulfanylcyclopropane
SMILESCCC(C)SC1CC1
InChIInChI=1S/C7H14S/c1-3-6(2)8-7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyDWRNEZSALFWUFE-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 butan-2-ylsulfanylcyclopropane?
The IUPAC name of butan-2-ylsulfanylcyclopropane (CID 59881925) is butan-2-ylsulfanylcyclopropane.
What is the SMILES notation for butan-2-ylsulfanylcyclopropane?
The canonical SMILES for butan-2-ylsulfanylcyclopropane is CCC(C)SC1CC1.
What is the InChIKey of butan-2-ylsulfanylcyclopropane?
The InChIKey is DWRNEZSALFWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-3-6(2)8-7-4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of butan-2-ylsulfanylcyclopropane?
butan-2-ylsulfanylcyclopropane 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 butan-2-ylsulfanylcyclopropane is sourced from PubChem (CID 59881925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).