2-butan-2-ylsulfanylselanylsulfanylbutane

C8H18S2Se — CID 15832557

IUPAC2-butan-2-ylsulfanylselanylsulfanylbutane
SMILESCCC(C)S[Se]SC(C)CC
InChIInChI=1S/C8H18S2Se/c1-5-7(3)9-11-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyKIZZVPUWKIEKJB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.58
Rot. Bonds6

About 2-butan-2-ylsulfanylselanylsulfanylbutane

2-butan-2-ylsulfanylselanylsulfanylbutane (PubChem CID 15832557) has the molecular formula C8H18S2Se and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylselanylsulfanylbutane.

Molecular Properties

Compound Name2-butan-2-ylsulfanylselanylsulfanylbutane
PubChem CID15832557
Molecular FormulaC8H18S2Se
Molecular Weight257.33 g/mol
Exact Mass258.00
IUPAC Name2-butan-2-ylsulfanylselanylsulfanylbutane
SMILESCCC(C)S[Se]SC(C)CC
InChIInChI=1S/C8H18S2Se/c1-5-7(3)9-11-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyKIZZVPUWKIEKJB-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
(2R)-2-hydroxysulfanylbutane
CID 142533001
2-ethylsulfanylbutane
CID 521270
2-(butan-2-ylhexasulfanyl)butane
CID 102352533
2-(fluoromethylsulfanyl)butane
CID 139914131
1-butan-2-ylsulfanylbutane
CID 525455
2-(propan-2-yloxymethyldisulfanyl)butane
CID 139445129
butan-2-ylsulfanylcyclopropane
CID 59881925
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylselanylsulfanylbutane?
The IUPAC name of 2-butan-2-ylsulfanylselanylsulfanylbutane (CID 15832557) is 2-butan-2-ylsulfanylselanylsulfanylbutane.
What is the SMILES notation for 2-butan-2-ylsulfanylselanylsulfanylbutane?
The canonical SMILES for 2-butan-2-ylsulfanylselanylsulfanylbutane is CCC(C)S[Se]SC(C)CC.
What is the InChIKey of 2-butan-2-ylsulfanylselanylsulfanylbutane?
The InChIKey is KIZZVPUWKIEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2Se/c1-5-7(3)9-11-10-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanylselanylsulfanylbutane?
2-butan-2-ylsulfanylselanylsulfanylbutane has a molecular weight of 257.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylselanylsulfanylbutane is sourced from PubChem (CID 15832557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).