2-prop-2-enylsulfanylprop-2-ene-1-thiol

C6H10S2 — CID 173025235

IUPAC2-prop-2-enylsulfanylprop-2-ene-1-thiol
SMILESC=CCSC(=C)CS
InChIInChI=1S/C6H10S2/c1-3-4-8-6(2)5-7/h3,7H,1-2,4-5H2
InChIKeyLGPJKFCZNNUILI-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.35
Rot. Bonds4

About 2-prop-2-enylsulfanylprop-2-ene-1-thiol

2-prop-2-enylsulfanylprop-2-ene-1-thiol (PubChem CID 173025235) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylprop-2-ene-1-thiol.

Molecular Properties

Compound Name2-prop-2-enylsulfanylprop-2-ene-1-thiol
PubChem CID173025235
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2-prop-2-enylsulfanylprop-2-ene-1-thiol
SMILESC=CCSC(=C)CS
InChIInChI=1S/C6H10S2/c1-3-4-8-6(2)5-7/h3,7H,1-2,4-5H2
InChIKeyLGPJKFCZNNUILI-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylprop-2-ene-1-thiol?
The IUPAC name of 2-prop-2-enylsulfanylprop-2-ene-1-thiol (CID 173025235) is 2-prop-2-enylsulfanylprop-2-ene-1-thiol.
What is the SMILES notation for 2-prop-2-enylsulfanylprop-2-ene-1-thiol?
The canonical SMILES for 2-prop-2-enylsulfanylprop-2-ene-1-thiol is C=CCSC(=C)CS.
What is the InChIKey of 2-prop-2-enylsulfanylprop-2-ene-1-thiol?
The InChIKey is LGPJKFCZNNUILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-3-4-8-6(2)5-7/h3,7H,1-2,4-5H2.
What are the key properties of 2-prop-2-enylsulfanylprop-2-ene-1-thiol?
2-prop-2-enylsulfanylprop-2-ene-1-thiol has a molecular weight of 146.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylprop-2-ene-1-thiol is sourced from PubChem (CID 173025235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).