1-prop-2-enylsulfinylprop-2-ene-1-thiol

C6H10OS2 — CID 173029866

IUPAC1-prop-2-enylsulfinylprop-2-ene-1-thiol
SMILESC=CCS(=O)C(S)C=C
InChIInChI=1S/C6H10OS2/c1-3-5-9(7)6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyUPCHGYQXXZKKEK-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.36
Rot. Bonds4

About 1-prop-2-enylsulfinylprop-2-ene-1-thiol

1-prop-2-enylsulfinylprop-2-ene-1-thiol (PubChem CID 173029866) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-prop-2-enylsulfinylprop-2-ene-1-thiol.

Molecular Properties

Compound Name1-prop-2-enylsulfinylprop-2-ene-1-thiol
PubChem CID173029866
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name1-prop-2-enylsulfinylprop-2-ene-1-thiol
SMILESC=CCS(=O)C(S)C=C
InChIInChI=1S/C6H10OS2/c1-3-5-9(7)6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyUPCHGYQXXZKKEK-UHFFFAOYSA-N
XLogP1.36
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.36
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 1-prop-2-enylsulfinylprop-2-ene-1-thiol?
The IUPAC name of 1-prop-2-enylsulfinylprop-2-ene-1-thiol (CID 173029866) is 1-prop-2-enylsulfinylprop-2-ene-1-thiol.
What is the SMILES notation for 1-prop-2-enylsulfinylprop-2-ene-1-thiol?
The canonical SMILES for 1-prop-2-enylsulfinylprop-2-ene-1-thiol is C=CCS(=O)C(S)C=C.
What is the InChIKey of 1-prop-2-enylsulfinylprop-2-ene-1-thiol?
The InChIKey is UPCHGYQXXZKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-9(7)6(8)4-2/h3-4,6,8H,1-2,5H2.
What are the key properties of 1-prop-2-enylsulfinylprop-2-ene-1-thiol?
1-prop-2-enylsulfinylprop-2-ene-1-thiol has a molecular weight of 162.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfinylprop-2-ene-1-thiol is sourced from PubChem (CID 173029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).