2-prop-1-en-2-ylsulfanylprop-1-ene

C6H10S — CID 54475626

IUPAC2-prop-1-en-2-ylsulfanylprop-1-ene
SMILESC=C(C)SC(=C)C
InChIInChI=1S/C6H10S/c1-5(2)7-6(3)4/h1,3H2,2,4H3
InChIKeyXLJBXIJMHKYRSF-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.79
Rot. Bonds2

About 2-prop-1-en-2-ylsulfanylprop-1-ene

2-prop-1-en-2-ylsulfanylprop-1-ene (PubChem CID 54475626) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-prop-1-en-2-ylsulfanylprop-1-ene.

Molecular Properties

Compound Name2-prop-1-en-2-ylsulfanylprop-1-ene
PubChem CID54475626
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-prop-1-en-2-ylsulfanylprop-1-ene
SMILESC=C(C)SC(=C)C
InChIInChI=1S/C6H10S/c1-5(2)7-6(3)4/h1,3H2,2,4H3
InChIKeyXLJBXIJMHKYRSF-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylsulfanylprop-1-ene?
The IUPAC name of 2-prop-1-en-2-ylsulfanylprop-1-ene (CID 54475626) is 2-prop-1-en-2-ylsulfanylprop-1-ene.
What is the SMILES notation for 2-prop-1-en-2-ylsulfanylprop-1-ene?
The canonical SMILES for 2-prop-1-en-2-ylsulfanylprop-1-ene is C=C(C)SC(=C)C.
What is the InChIKey of 2-prop-1-en-2-ylsulfanylprop-1-ene?
The InChIKey is XLJBXIJMHKYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-5(2)7-6(3)4/h1,3H2,2,4H3.
What are the key properties of 2-prop-1-en-2-ylsulfanylprop-1-ene?
2-prop-1-en-2-ylsulfanylprop-1-ene has a molecular weight of 114.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylsulfanylprop-1-ene is sourced from PubChem (CID 54475626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).