1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol

C6H10O2S — CID 19078198

IUPAC1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol
SMILESC=CC(O)SC(O)C=C
InChIInChI=1S/C6H10O2S/c1-3-5(7)9-6(8)4-2/h3-8H,1-2H2
InChIKeyIXKDRBLVBQJOHD-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.73
Rot. Bonds4

About 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol

1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol (PubChem CID 19078198) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol
PubChem CID19078198
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol
SMILESC=CC(O)SC(O)C=C
InChIInChI=1S/C6H10O2S/c1-3-5(7)9-6(8)4-2/h3-8H,1-2H2
InChIKeyIXKDRBLVBQJOHD-UHFFFAOYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol?
The IUPAC name of 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol (CID 19078198) is 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol is C=CC(O)SC(O)C=C.
What is the InChIKey of 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol?
The InChIKey is IXKDRBLVBQJOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-5(7)9-6(8)4-2/h3-8H,1-2H2.
What are the key properties of 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol?
1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol has a molecular weight of 146.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 19078198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).