1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane

C6H12Br2S2 — CID 56988774

IUPAC1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane
SMILESCCSCCSCC(Br)Br
InChIInChI=1S/C6H12Br2S2/c1-2-9-3-4-10-5-6(7)8/h6H,2-5H2,1H3
InChIKeyNHQLIYRHKRUHCI-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.59
Rot. Bonds6

About 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane

1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane (PubChem CID 56988774) has the molecular formula C6H12Br2S2 and a molecular weight of 308.10 g/mol. Its IUPAC name is 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane.

Molecular Properties

Compound Name1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane
PubChem CID56988774
Molecular FormulaC6H12Br2S2
Molecular Weight308.10 g/mol
Exact Mass305.87
IUPAC Name1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane
SMILESCCSCCSCC(Br)Br
InChIInChI=1S/C6H12Br2S2/c1-2-9-3-4-10-5-6(7)8/h6H,2-5H2,1H3
InChIKeyNHQLIYRHKRUHCI-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
2-[3-[2-(3-ethylsulfanylpropylsulfanyl)ethylsulfanyl]propylsulfanyl]ethane-1,1-diol
CID 154512556
2-(6-ethylsulfanylhexylsulfanyl)ethane-1,1-diamine
CID 20538545
2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]-1-(2-hydroxyethylsulfanyl)ethanol
CID 172766177
methyl 3-(2-ethylsulfanylethylsulfanyl)-2-methylpropanoate
CID 115646956
2-(2-ethylsulfanylethylsulfanyl)ethanol
CID 528228
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
3-ethyl-1-ethylsulfanyl-4-methylpentane
CID 167199867
2-chloroethyl-ethyl-(2-ethylsulfanylethyl)sulfanium
CID 58939922
ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;phosphane
CID 88694996

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane?
The IUPAC name of 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane (CID 56988774) is 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane.
What is the SMILES notation for 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane?
The canonical SMILES for 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane is CCSCCSCC(Br)Br.
What is the InChIKey of 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane?
The InChIKey is NHQLIYRHKRUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2S2/c1-2-9-3-4-10-5-6(7)8/h6H,2-5H2,1H3.
What are the key properties of 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane?
1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane has a molecular weight of 308.10 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-(2-ethylsulfanylethylsulfanyl)ethane is sourced from PubChem (CID 56988774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).