2-ethylsulfanylpropane

C5H12S — CID 21228

IUPAC2-ethylsulfanylpropane
SMILESCCSC(C)C
InChIInChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKeyNZUQQADVSXWVNW-UHFFFAOYSA-N
MW104.22 g/mol
LogP2.15
Rot. Bonds2

About 2-ethylsulfanylpropane

2-ethylsulfanylpropane (PubChem CID 21228) has the molecular formula C5H12S and a molecular weight of 104.22 g/mol. Its IUPAC name is 2-ethylsulfanylpropane.

Molecular Properties

Compound Name2-ethylsulfanylpropane
PubChem CID21228
Molecular FormulaC5H12S
Molecular Weight104.22 g/mol
Exact Mass104.07
IUPAC Name2-ethylsulfanylpropane
SMILESCCSC(C)C
InChIInChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKeyNZUQQADVSXWVNW-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethylsulfanylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpropane?
The IUPAC name of 2-ethylsulfanylpropane (CID 21228) is 2-ethylsulfanylpropane.
What is the SMILES notation for 2-ethylsulfanylpropane?
The canonical SMILES for 2-ethylsulfanylpropane is CCSC(C)C.
What is the InChIKey of 2-ethylsulfanylpropane?
The InChIKey is NZUQQADVSXWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanylpropane?
2-ethylsulfanylpropane has a molecular weight of 104.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpropane is sourced from PubChem (CID 21228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).