3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol

C6H14O2S5 — CID 18935061

IUPAC3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol
SMILESOCCCSSSS(=S)CCCO
InChIInChI=1S/C6H14O2S5/c7-3-1-5-10-11-12-13(9)6-2-4-8/h7-8H,1-6H2
InChIKeyBMWBCIWLFVYYOM-UHFFFAOYSA-N
MW278.51 g/mol
LogP1.78
Rot. Bonds9

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

3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol (PubChem CID 18935061) has the molecular formula C6H14O2S5 and a molecular weight of 278.51 g/mol. Its IUPAC name is 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol
PubChem CID18935061
Molecular FormulaC6H14O2S5
Molecular Weight278.51 g/mol
Exact Mass277.96
IUPAC Name3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol
SMILESOCCCSSSS(=S)CCCO
InChIInChI=1S/C6H14O2S5/c7-3-1-5-10-11-12-13(9)6-2-4-8/h7-8H,1-6H2
InChIKeyBMWBCIWLFVYYOM-UHFFFAOYSA-N
XLogP1.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Hydroxyethyl disulfide
CID 15906
Bis(2-hydroxyethyl) trisulfide
CID 20483
1,4-Butanediol, 2,3-dimercapto-
CID 474210
3-(Methyldisulfanyl)propan-1-ol
CID 86053359
4,4'-Dithiobisbutan-1-ol
CID 121715
Ethylene-2,2'-bis(dithio)bis(ethanol)
CID 128568
3-[(3-Hydroxypropyl)disulfanyl]-1-propanol
CID 11651260
2,4-Bis(sulfanyl)butan-1-ol
CID 474198
2,3-Dithiothreitol
CID 10844611
Dithio-erythritol
CID 53924528
Dithiothiothreitol
CID 87534512
Dithio-l-threitol
CID 129628098

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol?
The IUPAC name of 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol (CID 18935061) is 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol.
What is the SMILES notation for 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol?
The canonical SMILES for 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol is OCCCSSSS(=S)CCCO.
What is the InChIKey of 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol?
The InChIKey is BMWBCIWLFVYYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S5/c7-3-1-5-10-11-12-13(9)6-2-4-8/h7-8H,1-6H2.
What are the key properties of 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol?
3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol has a molecular weight of 278.51 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylsulfinothioyltrisulfanyl)propan-1-ol is sourced from PubChem (CID 18935061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).