2,3-bis(sulfanyl)pent-4-en-1-ol

C5H10OS2 — CID 90858842

IUPAC2,3-bis(sulfanyl)pent-4-en-1-ol
SMILESC=CC(S)C(S)CO
InChIInChI=1S/C5H10OS2/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2
InChIKeyRISIEXLQEDEMRX-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.76
Rot. Bonds3

About 2,3-bis(sulfanyl)pent-4-en-1-ol

2,3-bis(sulfanyl)pent-4-en-1-ol (PubChem CID 90858842) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2,3-bis(sulfanyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2,3-bis(sulfanyl)pent-4-en-1-ol
PubChem CID90858842
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name2,3-bis(sulfanyl)pent-4-en-1-ol
SMILESC=CC(S)C(S)CO
InChIInChI=1S/C5H10OS2/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2
InChIKeyRISIEXLQEDEMRX-UHFFFAOYSA-N
XLogP0.76
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,3-bis(sulfanyl)pent-4-en-1-ol?
The IUPAC name of 2,3-bis(sulfanyl)pent-4-en-1-ol (CID 90858842) is 2,3-bis(sulfanyl)pent-4-en-1-ol.
What is the SMILES notation for 2,3-bis(sulfanyl)pent-4-en-1-ol?
The canonical SMILES for 2,3-bis(sulfanyl)pent-4-en-1-ol is C=CC(S)C(S)CO.
What is the InChIKey of 2,3-bis(sulfanyl)pent-4-en-1-ol?
The InChIKey is RISIEXLQEDEMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-2-4(7)5(8)3-6/h2,4-8H,1,3H2.
What are the key properties of 2,3-bis(sulfanyl)pent-4-en-1-ol?
2,3-bis(sulfanyl)pent-4-en-1-ol has a molecular weight of 150.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanyl)pent-4-en-1-ol is sourced from PubChem (CID 90858842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).