3-(methyldisulfanyl)propan-1-ol

C4H10OS2 — CID 86053359

IUPAC3-(methyldisulfanyl)propan-1-ol
SMILESCSSCCCO
InChIInChI=1S/C4H10OS2/c1-6-7-4-2-3-5/h5H,2-4H2,1H3
InChIKeyVVWFNTJXKMWEKK-UHFFFAOYSA-N
MW138.26 g/mol
LogP1.38
Rot. Bonds4

About 3-(methyldisulfanyl)propan-1-ol

3-(methyldisulfanyl)propan-1-ol (PubChem CID 86053359) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is 3-(methyldisulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(methyldisulfanyl)propan-1-ol
PubChem CID86053359
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Name3-(methyldisulfanyl)propan-1-ol
SMILESCSSCCCO
InChIInChI=1S/C4H10OS2/c1-6-7-4-2-3-5/h5H,2-4H2,1H3
InChIKeyVVWFNTJXKMWEKK-UHFFFAOYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methyldisulfanyl)propan-1-ol?
The IUPAC name of 3-(methyldisulfanyl)propan-1-ol (CID 86053359) is 3-(methyldisulfanyl)propan-1-ol.
What is the SMILES notation for 3-(methyldisulfanyl)propan-1-ol?
The canonical SMILES for 3-(methyldisulfanyl)propan-1-ol is CSSCCCO.
What is the InChIKey of 3-(methyldisulfanyl)propan-1-ol?
The InChIKey is VVWFNTJXKMWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c1-6-7-4-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 3-(methyldisulfanyl)propan-1-ol?
3-(methyldisulfanyl)propan-1-ol has a molecular weight of 138.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyldisulfanyl)propan-1-ol is sourced from PubChem (CID 86053359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).