1-(2-hexylsulfanylpropylsulfanyl)hexane

C15H32S2 — CID 4232997

IUPAC1-(2-hexylsulfanylpropylsulfanyl)hexane
SMILESCCCCCCSCC(C)SCCCCCC
InChIInChI=1S/C15H32S2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3
InChIKeyBEVARWJQIYXANW-UHFFFAOYSA-N
MW276.55 g/mol
LogP6.00
Rot. Bonds13

About 1-(2-hexylsulfanylpropylsulfanyl)hexane

1-(2-hexylsulfanylpropylsulfanyl)hexane (PubChem CID 4232997) has the molecular formula C15H32S2 and a molecular weight of 276.55 g/mol. Its IUPAC name is 1-(2-hexylsulfanylpropylsulfanyl)hexane.

Molecular Properties

Compound Name1-(2-hexylsulfanylpropylsulfanyl)hexane
PubChem CID4232997
Molecular FormulaC15H32S2
Molecular Weight276.55 g/mol
Exact Mass276.19
IUPAC Name1-(2-hexylsulfanylpropylsulfanyl)hexane
SMILESCCCCCCSCC(C)SCCCCCC
InChIInChI=1S/C15H32S2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3
InChIKeyBEVARWJQIYXANW-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane
CID 27255783
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexylsulfanylpropylsulfanyl)hexane?
The IUPAC name of 1-(2-hexylsulfanylpropylsulfanyl)hexane (CID 4232997) is 1-(2-hexylsulfanylpropylsulfanyl)hexane.
What is the SMILES notation for 1-(2-hexylsulfanylpropylsulfanyl)hexane?
The canonical SMILES for 1-(2-hexylsulfanylpropylsulfanyl)hexane is CCCCCCSCC(C)SCCCCCC.
What is the InChIKey of 1-(2-hexylsulfanylpropylsulfanyl)hexane?
The InChIKey is BEVARWJQIYXANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32S2/c1-4-6-8-10-12-16-14-15(3)17-13-11-9-7-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1-(2-hexylsulfanylpropylsulfanyl)hexane?
1-(2-hexylsulfanylpropylsulfanyl)hexane has a molecular weight of 276.55 g/mol, XLogP of 6.00, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexylsulfanylpropylsulfanyl)hexane is sourced from PubChem (CID 4232997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).