1-prop-1-enylsulfanylpropane

C6H12S — CID 554181

IUPAC1-prop-1-enylsulfanylpropane
SMILESCC=CSCCC
InChIInChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyRKVNNVDQIVWRNA-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.66
Rot. Bonds3

About 1-prop-1-enylsulfanylpropane

1-prop-1-enylsulfanylpropane (PubChem CID 554181) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 1-prop-1-enylsulfanylpropane.

Molecular Properties

Compound Name1-prop-1-enylsulfanylpropane
PubChem CID554181
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name1-prop-1-enylsulfanylpropane
SMILESCC=CSCCC
InChIInChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3
InChIKeyRKVNNVDQIVWRNA-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylsulfanylpropane?
The IUPAC name of 1-prop-1-enylsulfanylpropane (CID 554181) is 1-prop-1-enylsulfanylpropane.
What is the SMILES notation for 1-prop-1-enylsulfanylpropane?
The canonical SMILES for 1-prop-1-enylsulfanylpropane is CC=CSCCC.
What is the InChIKey of 1-prop-1-enylsulfanylpropane?
The InChIKey is RKVNNVDQIVWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3.
What are the key properties of 1-prop-1-enylsulfanylpropane?
1-prop-1-enylsulfanylpropane has a molecular weight of 116.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylsulfanylpropane is sourced from PubChem (CID 554181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).