1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane

C6H14S6 — CID 140975703

IUPAC1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane
SMILESSSCCC(CCSS)CSS
InChIInChI=1S/C6H14S6/c7-10-3-1-6(5-12-9)2-4-11-8/h6-9H,1-5H2
InChIKeyVYDQFYFEBOMGAP-UHFFFAOYSA-N
MW278.58 g/mol
LogP4.12
Rot. Bonds8

About 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane

1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane (PubChem CID 140975703) has the molecular formula C6H14S6 and a molecular weight of 278.58 g/mol. Its IUPAC name is 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane.

Molecular Properties

Compound Name1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane
PubChem CID140975703
Molecular FormulaC6H14S6
Molecular Weight278.58 g/mol
Exact Mass277.94
IUPAC Name1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane
SMILESSSCCC(CCSS)CSS
InChIInChI=1S/C6H14S6/c7-10-3-1-6(5-12-9)2-4-11-8/h6-9H,1-5H2
InChIKeyVYDQFYFEBOMGAP-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(disulfanylmethyl)hexane
CID 118227074
2-(disulfanyl)ethanol
CID 18764697
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339
7-(disulfanyl)heptan-2-ol
CID 18690225
6-(disulfanyl)hexane-1,5-diol
CID 138559700
3-(disulfanyl)propane-1-thiol
CID 101216787
2-(disulfanyl)ethanol;ethane-1,2-diol
CID 175138684
(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol
CID 54058685
3-(disulfanyl)-1,1,1-trifluoropropane
CID 87424751
1-(disulfanyl)octane
CID 18332277
3-(disulfanyl)propane-1,2-disulfonic acid
CID 87126443
1-[1-(disulfanyl)propan-2-yloxy]propan-2-ol
CID 18349958

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane?
The IUPAC name of 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane (CID 140975703) is 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane.
What is the SMILES notation for 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane?
The canonical SMILES for 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane is SSCCC(CCSS)CSS.
What is the InChIKey of 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane?
The InChIKey is VYDQFYFEBOMGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S6/c7-10-3-1-6(5-12-9)2-4-11-8/h6-9H,1-5H2.
What are the key properties of 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane?
1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane has a molecular weight of 278.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(disulfanyl)-3-(disulfanylmethyl)pentane is sourced from PubChem (CID 140975703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).