5-methylsulfanylpent-1-ene-2,3-diol

C6H12O2S — CID 89172226

IUPAC5-methylsulfanylpent-1-ene-2,3-diol
SMILESC=C(O)C(O)CCSC
InChIInChI=1S/C6H12O2S/c1-5(7)6(8)3-4-9-2/h6-8H,1,3-4H2,2H3
InChIKeySKEPGUUFPOOXKZ-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.17
Rot. Bonds4

About 5-methylsulfanylpent-1-ene-2,3-diol

5-methylsulfanylpent-1-ene-2,3-diol (PubChem CID 89172226) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is 5-methylsulfanylpent-1-ene-2,3-diol.

Molecular Properties

Compound Name5-methylsulfanylpent-1-ene-2,3-diol
PubChem CID89172226
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Name5-methylsulfanylpent-1-ene-2,3-diol
SMILESC=C(O)C(O)CCSC
InChIInChI=1S/C6H12O2S/c1-5(7)6(8)3-4-9-2/h6-8H,1,3-4H2,2H3
InChIKeySKEPGUUFPOOXKZ-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylpent-1-ene-2,3-diol?
The IUPAC name of 5-methylsulfanylpent-1-ene-2,3-diol (CID 89172226) is 5-methylsulfanylpent-1-ene-2,3-diol.
What is the SMILES notation for 5-methylsulfanylpent-1-ene-2,3-diol?
The canonical SMILES for 5-methylsulfanylpent-1-ene-2,3-diol is C=C(O)C(O)CCSC.
What is the InChIKey of 5-methylsulfanylpent-1-ene-2,3-diol?
The InChIKey is SKEPGUUFPOOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-5(7)6(8)3-4-9-2/h6-8H,1,3-4H2,2H3.
What are the key properties of 5-methylsulfanylpent-1-ene-2,3-diol?
5-methylsulfanylpent-1-ene-2,3-diol has a molecular weight of 148.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpent-1-ene-2,3-diol is sourced from PubChem (CID 89172226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).