3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol

C9H20O2S2 — CID 12513960

IUPAC3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol
SMILESOCCCSCCCSCCCO
InChIInChI=1S/C9H20O2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2
InChIKeyANDMAVJOJNLFBS-UHFFFAOYSA-N
MW224.39 g/mol
LogP1.61
Rot. Bonds10

About 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol

3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol (PubChem CID 12513960) has the molecular formula C9H20O2S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol
PubChem CID12513960
Molecular FormulaC9H20O2S2
Molecular Weight224.39 g/mol
Exact Mass224.09
IUPAC Name3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol
SMILESOCCCSCCCSCCCO
InChIInChI=1S/C9H20O2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2
InChIKeyANDMAVJOJNLFBS-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tiadenol
CID 23403
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol
CID 62090
3-((2-Hydroxyethyl)sulfanyl)propan-1-ol
CID 220278
1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
3,3'-Thiodipropan-1-ol
CID 66358
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[3-(Methoxymethylsulfanyl)butylsulfanyl]ethanol
CID 156014341
1,3-Bis((2-hydroxyethyl)sulfanyl)propan-2-ol
CID 220301
2-((2-((2-((2-Hydroxyethyl)sulfanyl)ethyl)sulfanyl)ethyl)sulfanyl)ethan-1-ol
CID 10198704
2-Butanethiol, 3-((2-hydroxy-1-methylpropyl)thio)-, sodium salt (1:1)
CID 23675904

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol?
The IUPAC name of 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol (CID 12513960) is 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol is OCCCSCCCSCCCO.
What is the InChIKey of 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol?
The InChIKey is ANDMAVJOJNLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2S2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2.
What are the key properties of 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol?
3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypropylsulfanyl)propylsulfanyl]propan-1-ol is sourced from PubChem (CID 12513960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).