2-(propan-2-yltrisulfanyl)ethanol

C5H12OS3 — CID 13291755

IUPAC2-(propan-2-yltrisulfanyl)ethanol
SMILESCC(C)SSSCCO
InChIInChI=1S/C5H12OS3/c1-5(2)8-9-7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKeyFOVVAVSOIGMJDY-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.42
Rot. Bonds5

About 2-(propan-2-yltrisulfanyl)ethanol

2-(propan-2-yltrisulfanyl)ethanol (PubChem CID 13291755) has the molecular formula C5H12OS3 and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-(propan-2-yltrisulfanyl)ethanol.

Molecular Properties

Compound Name2-(propan-2-yltrisulfanyl)ethanol
PubChem CID13291755
Molecular FormulaC5H12OS3
Molecular Weight184.35 g/mol
Exact Mass184.01
IUPAC Name2-(propan-2-yltrisulfanyl)ethanol
SMILESCC(C)SSSCCO
InChIInChI=1S/C5H12OS3/c1-5(2)8-9-7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKeyFOVVAVSOIGMJDY-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(propan-2-yltrisulfanyl)ethanol?
The IUPAC name of 2-(propan-2-yltrisulfanyl)ethanol (CID 13291755) is 2-(propan-2-yltrisulfanyl)ethanol.
What is the SMILES notation for 2-(propan-2-yltrisulfanyl)ethanol?
The canonical SMILES for 2-(propan-2-yltrisulfanyl)ethanol is CC(C)SSSCCO.
What is the InChIKey of 2-(propan-2-yltrisulfanyl)ethanol?
The InChIKey is FOVVAVSOIGMJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS3/c1-5(2)8-9-7-4-3-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(propan-2-yltrisulfanyl)ethanol?
2-(propan-2-yltrisulfanyl)ethanol has a molecular weight of 184.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yltrisulfanyl)ethanol is sourced from PubChem (CID 13291755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).