5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol

C7H16O2S2 — CID 87465197

IUPAC5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol
SMILESOCCCCCOCC(S)S
InChIInChI=1S/C7H16O2S2/c8-4-2-1-3-5-9-6-7(10)11/h7-8,10-11H,1-6H2
InChIKeyUAAPDISEMSKUOB-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.35
Rot. Bonds7

About 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol

5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol (PubChem CID 87465197) has the molecular formula C7H16O2S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol
PubChem CID87465197
Molecular FormulaC7H16O2S2
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol
SMILESOCCCCCOCC(S)S
InChIInChI=1S/C7H16O2S2/c8-4-2-1-3-5-9-6-7(10)11/h7-8,10-11H,1-6H2
InChIKeyUAAPDISEMSKUOB-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
5-(2-hydroxypropoxy)pentan-1-ol
CID 14473456
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[2-amino-3-(4-hydroxybutoxy)propoxy]butan-1-ol
CID 178085039
5-(2,3-diiodopropoxy)pentan-1-ol
CID 135038659
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
CID 139572770

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol?
The IUPAC name of 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol (CID 87465197) is 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol.
What is the SMILES notation for 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol?
The canonical SMILES for 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol is OCCCCCOCC(S)S.
What is the InChIKey of 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol?
The InChIKey is UAAPDISEMSKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S2/c8-4-2-1-3-5-9-6-7(10)11/h7-8,10-11H,1-6H2.
What are the key properties of 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol?
5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol has a molecular weight of 196.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(sulfanyl)ethoxy]pentan-1-ol is sourced from PubChem (CID 87465197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).