2,5-bis(sulfanyl)pentan-1-ol

C5H12OS2 — CID 90911589

IUPAC2,5-bis(sulfanyl)pentan-1-ol
SMILESOCC(S)CCCS
InChIInChI=1S/C5H12OS2/c6-4-5(8)2-1-3-7/h5-8H,1-4H2
InChIKeyHRKWZEGKUXMPJO-UHFFFAOYSA-N
MW152.28 g/mol
LogP0.99
Rot. Bonds4

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

2,5-bis(sulfanyl)pentan-1-ol (PubChem CID 90911589) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,5-bis(sulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2,5-bis(sulfanyl)pentan-1-ol
PubChem CID90911589
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name2,5-bis(sulfanyl)pentan-1-ol
SMILESOCC(S)CCCS
InChIInChI=1S/C5H12OS2/c6-4-5(8)2-1-3-7/h5-8H,1-4H2
InChIKeyHRKWZEGKUXMPJO-UHFFFAOYSA-N
XLogP0.99
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

undecane-1,4,8,11-tetrathiol
CID 57041789
pentane-1,2,5-trithiol
CID 87093666
butane-1,1,4-trithiol
CID 90930217
4,7-bis(sulfanyl)heptanoic acid
CID 87537007
16-hydroxy-15-sulfanylhexadecanoic acid
CID 123963183
2,10-bis(hydroxymethyl)-6-(2-sulfanylethyl)undecane-1,11-diol
CID 134417180
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
tetratriacontane-1,17-dithiol
CID 57207387
8-[2,8-bis(sulfanyl)octoxy]octane-1,7-dithiol
CID 21488227
5,10-bis(sulfanyl)decanoic acid
CID 87537400
2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
CID 175127070
pentane-1,3,5-trithiol
CID 19807040

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(sulfanyl)pentan-1-ol?
The IUPAC name of 2,5-bis(sulfanyl)pentan-1-ol (CID 90911589) is 2,5-bis(sulfanyl)pentan-1-ol.
What is the SMILES notation for 2,5-bis(sulfanyl)pentan-1-ol?
The canonical SMILES for 2,5-bis(sulfanyl)pentan-1-ol is OCC(S)CCCS.
What is the InChIKey of 2,5-bis(sulfanyl)pentan-1-ol?
The InChIKey is HRKWZEGKUXMPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c6-4-5(8)2-1-3-7/h5-8H,1-4H2.
What are the key properties of 2,5-bis(sulfanyl)pentan-1-ol?
2,5-bis(sulfanyl)pentan-1-ol has a molecular weight of 152.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(sulfanyl)pentan-1-ol is sourced from PubChem (CID 90911589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).