3-prop-2-enylsulfanylpropan-1-ol

C6H12OS — CID 6428899

IUPAC3-prop-2-enylsulfanylpropan-1-ol
SMILESC=CCSCCCO
InChIInChI=1S/C6H12OS/c1-2-5-8-6-3-4-7/h2,7H,1,3-6H2
InChIKeyHTKIDHNLOHZPEP-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds5

About 3-prop-2-enylsulfanylpropan-1-ol

3-prop-2-enylsulfanylpropan-1-ol (PubChem CID 6428899) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-prop-2-enylsulfanylpropan-1-ol
PubChem CID6428899
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-prop-2-enylsulfanylpropan-1-ol
SMILESC=CCSCCCO
InChIInChI=1S/C6H12OS/c1-2-5-8-6-3-4-7/h2,7H,1,3-6H2
InChIKeyHTKIDHNLOHZPEP-UHFFFAOYSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanylpropan-1-ol?
The IUPAC name of 3-prop-2-enylsulfanylpropan-1-ol (CID 6428899) is 3-prop-2-enylsulfanylpropan-1-ol.
What is the SMILES notation for 3-prop-2-enylsulfanylpropan-1-ol?
The canonical SMILES for 3-prop-2-enylsulfanylpropan-1-ol is C=CCSCCCO.
What is the InChIKey of 3-prop-2-enylsulfanylpropan-1-ol?
The InChIKey is HTKIDHNLOHZPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-5-8-6-3-4-7/h2,7H,1,3-6H2.
What are the key properties of 3-prop-2-enylsulfanylpropan-1-ol?
3-prop-2-enylsulfanylpropan-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylpropan-1-ol is sourced from PubChem (CID 6428899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).