3-(3-hydroxypropyltrisulfanyl)propan-1-ol

C6H14O2S3 — CID 3080752

IUPAC3-(3-hydroxypropyltrisulfanyl)propan-1-ol
SMILESOCCCSSSCCCO
InChIInChI=1S/C6H14O2S3/c7-3-1-5-9-11-10-6-2-4-8/h7-8H,1-6H2
InChIKeyYYBQKVULIKPELH-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.78
Rot. Bonds8

About 3-(3-hydroxypropyltrisulfanyl)propan-1-ol

3-(3-hydroxypropyltrisulfanyl)propan-1-ol (PubChem CID 3080752) has the molecular formula C6H14O2S3 and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(3-hydroxypropyltrisulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxypropyltrisulfanyl)propan-1-ol
PubChem CID3080752
Molecular FormulaC6H14O2S3
Molecular Weight214.38 g/mol
Exact Mass214.02
IUPAC Name3-(3-hydroxypropyltrisulfanyl)propan-1-ol
SMILESOCCCSSSCCCO
InChIInChI=1S/C6H14O2S3/c7-3-1-5-9-11-10-6-2-4-8/h7-8H,1-6H2
InChIKeyYYBQKVULIKPELH-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-hydroxypropyltrisulfanyl)propan-1-ol?
The IUPAC name of 3-(3-hydroxypropyltrisulfanyl)propan-1-ol (CID 3080752) is 3-(3-hydroxypropyltrisulfanyl)propan-1-ol.
What is the SMILES notation for 3-(3-hydroxypropyltrisulfanyl)propan-1-ol?
The canonical SMILES for 3-(3-hydroxypropyltrisulfanyl)propan-1-ol is OCCCSSSCCCO.
What is the InChIKey of 3-(3-hydroxypropyltrisulfanyl)propan-1-ol?
The InChIKey is YYBQKVULIKPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S3/c7-3-1-5-9-11-10-6-2-4-8/h7-8H,1-6H2.
What are the key properties of 3-(3-hydroxypropyltrisulfanyl)propan-1-ol?
3-(3-hydroxypropyltrisulfanyl)propan-1-ol has a molecular weight of 214.38 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyltrisulfanyl)propan-1-ol is sourced from PubChem (CID 3080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).