butyl-diethyl-propan-2-yl-λ4-sulfane

C11H26S — CID 123699906

IUPACbutyl-diethyl-propan-2-yl-λ4-sulfane
SMILESCCCCS(CC)(CC)C(C)C
InChIInChI=1S/C11H26S/c1-6-9-10-12(7-2,8-3)11(4)5/h11H,6-10H2,1-5H3
InChIKeyZRCSLCGZLMFKOA-UHFFFAOYSA-N
MW190.40 g/mol
LogP4.04
Rot. Bonds6

About butyl-diethyl-propan-2-yl-λ4-sulfane

butyl-diethyl-propan-2-yl-λ4-sulfane (PubChem CID 123699906) has the molecular formula C11H26S and a molecular weight of 190.40 g/mol. Its IUPAC name is butyl-diethyl-propan-2-yl-λ4-sulfane.

Molecular Properties

Compound Namebutyl-diethyl-propan-2-yl-λ4-sulfane
PubChem CID123699906
Molecular FormulaC11H26S
Molecular Weight190.40 g/mol
Exact Mass190.18
IUPAC Namebutyl-diethyl-propan-2-yl-λ4-sulfane
SMILESCCCCS(CC)(CC)C(C)C
InChIInChI=1S/C11H26S/c1-6-9-10-12(7-2,8-3)11(4)5/h11H,6-10H2,1-5H3
InChIKeyZRCSLCGZLMFKOA-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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calcium;1-butylsulfonylbutane;dichloride
CID 174621632
1-[butylsulfonyl(oxido)azaniumyl]sulfonylpentane
CID 163844133
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CID 64698847

Frequently Asked Questions

What is the IUPAC name of butyl-diethyl-propan-2-yl-λ4-sulfane?
The IUPAC name of butyl-diethyl-propan-2-yl-λ4-sulfane (CID 123699906) is butyl-diethyl-propan-2-yl-λ4-sulfane.
What is the SMILES notation for butyl-diethyl-propan-2-yl-λ4-sulfane?
The canonical SMILES for butyl-diethyl-propan-2-yl-λ4-sulfane is CCCCS(CC)(CC)C(C)C.
What is the InChIKey of butyl-diethyl-propan-2-yl-λ4-sulfane?
The InChIKey is ZRCSLCGZLMFKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26S/c1-6-9-10-12(7-2,8-3)11(4)5/h11H,6-10H2,1-5H3.
What are the key properties of butyl-diethyl-propan-2-yl-λ4-sulfane?
butyl-diethyl-propan-2-yl-λ4-sulfane has a molecular weight of 190.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-diethyl-propan-2-yl-λ4-sulfane is sourced from PubChem (CID 123699906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).