2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane

C12H26S3 — CID 139420724

IUPAC2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane
SMILESCC(C)SSC(C)CCC(C)SC(C)C
InChIInChI=1S/C12H26S3/c1-9(2)13-11(5)7-8-12(6)15-14-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeySWFFNQTUFPLQBE-UHFFFAOYSA-N
MW266.54 g/mol
LogP5.47
Rot. Bonds8

About 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane

2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane (PubChem CID 139420724) has the molecular formula C12H26S3 and a molecular weight of 266.54 g/mol. Its IUPAC name is 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane.

Molecular Properties

Compound Name2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane
PubChem CID139420724
Molecular FormulaC12H26S3
Molecular Weight266.54 g/mol
Exact Mass266.12
IUPAC Name2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane
SMILESCC(C)SSC(C)CCC(C)SC(C)C
InChIInChI=1S/C12H26S3/c1-9(2)13-11(5)7-8-12(6)15-14-10(3)4/h9-12H,7-8H2,1-6H3
InChIKeySWFFNQTUFPLQBE-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
2-(octan-2-yldisulfanyl)octane
CID 5120252
methane;2-propan-2-ylsulfanylpropane
CID 172836255
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
4-propan-2-ylsulfanylpentan-2-one
CID 64726666
(3R)-1-fluoro-4-methyl-3-(propan-2-yldisulfanyl)pentane
CID 166005107
ethynyl-bis[2-(propan-2-yldisulfanyl)propoxy]phosphane
CID 134317995
2-(2-propan-2-ylsulfanylpropyl)guanidine
CID 144608807
N-(2-propan-2-ylsulfanylpropyl)pentan-3-amine
CID 62579088
phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane?
The IUPAC name of 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane (CID 139420724) is 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane.
What is the SMILES notation for 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane?
The canonical SMILES for 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane is CC(C)SSC(C)CCC(C)SC(C)C.
What is the InChIKey of 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane?
The InChIKey is SWFFNQTUFPLQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S3/c1-9(2)13-11(5)7-8-12(6)15-14-10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane?
2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane has a molecular weight of 266.54 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yldisulfanyl)-5-propan-2-ylsulfanylhexane is sourced from PubChem (CID 139420724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).