1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol

C11H24O3S4 — CID 11067565

IUPAC1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol
SMILESOCCSCCSCC(O)CSCCSCCO
InChIInChI=1S/C11H24O3S4/c12-1-3-15-5-7-17-9-11(14)10-18-8-6-16-4-2-13/h11-14H,1-10H2
InChIKeyUDSPECVYHKANDL-UHFFFAOYSA-N
MW332.58 g/mol
LogP1.26
Rot. Bonds14

About 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol

1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol (PubChem CID 11067565) has the molecular formula C11H24O3S4 and a molecular weight of 332.58 g/mol. Its IUPAC name is 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol
PubChem CID11067565
Molecular FormulaC11H24O3S4
Molecular Weight332.58 g/mol
Exact Mass332.06
IUPAC Name1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol
SMILESOCCSCCSCC(O)CSCCSCCO
InChIInChI=1S/C11H24O3S4/c12-1-3-15-5-7-17-9-11(14)10-18-8-6-16-4-2-13/h11-14H,1-10H2
InChIKeyUDSPECVYHKANDL-UHFFFAOYSA-N
XLogP1.26
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol?
The IUPAC name of 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol (CID 11067565) is 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol is OCCSCCSCC(O)CSCCSCCO.
What is the InChIKey of 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol?
The InChIKey is UDSPECVYHKANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S4/c12-1-3-15-5-7-17-9-11(14)10-18-8-6-16-4-2-13/h11-14H,1-10H2.
What are the key properties of 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol?
1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol has a molecular weight of 332.58 g/mol, XLogP of 1.26, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 11067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).