1-methylsulfanylpropane

C4H10S — CID 19754

IUPAC1-methylsulfanylpropane
SMILESCCCSC
InChIInChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
InChIKeyZOASGOXWEHUTKZ-UHFFFAOYSA-N
MW90.19 g/mol
LogP1.76
Rot. Bonds2

About 1-methylsulfanylpropane

1-methylsulfanylpropane (PubChem CID 19754) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is 1-methylsulfanylpropane.

Molecular Properties

Compound Name1-methylsulfanylpropane
PubChem CID19754
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Name1-methylsulfanylpropane
SMILESCCCSC
InChIInChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
InChIKeyZOASGOXWEHUTKZ-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpropane?
The IUPAC name of 1-methylsulfanylpropane (CID 19754) is 1-methylsulfanylpropane.
What is the SMILES notation for 1-methylsulfanylpropane?
The canonical SMILES for 1-methylsulfanylpropane is CCCSC.
What is the InChIKey of 1-methylsulfanylpropane?
The InChIKey is ZOASGOXWEHUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3.
What are the key properties of 1-methylsulfanylpropane?
1-methylsulfanylpropane has a molecular weight of 90.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpropane is sourced from PubChem (CID 19754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).