3-ethenylsulfanylpentane

C7H14S — CID 22770243

IUPAC3-ethenylsulfanylpentane
SMILESC=CSC(CC)CC
InChIInChI=1S/C7H14S/c1-4-7(5-2)8-6-3/h6-7H,3-5H2,1-2H3
InChIKeyWSPREZKKYVBACF-UHFFFAOYSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds4

About 3-ethenylsulfanylpentane

3-ethenylsulfanylpentane (PubChem CID 22770243) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 3-ethenylsulfanylpentane.

Molecular Properties

Compound Name3-ethenylsulfanylpentane
PubChem CID22770243
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name3-ethenylsulfanylpentane
SMILESC=CSC(CC)CC
InChIInChI=1S/C7H14S/c1-4-7(5-2)8-6-3/h6-7H,3-5H2,1-2H3
InChIKeyWSPREZKKYVBACF-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanylpentane?
The IUPAC name of 3-ethenylsulfanylpentane (CID 22770243) is 3-ethenylsulfanylpentane.
What is the SMILES notation for 3-ethenylsulfanylpentane?
The canonical SMILES for 3-ethenylsulfanylpentane is C=CSC(CC)CC.
What is the InChIKey of 3-ethenylsulfanylpentane?
The InChIKey is WSPREZKKYVBACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-7(5-2)8-6-3/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethenylsulfanylpentane?
3-ethenylsulfanylpentane has a molecular weight of 130.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanylpentane is sourced from PubChem (CID 22770243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).