tetrakis(3-methylbutyl)-λ4-sulfane

C20H44S — CID 87113718

IUPACtetrakis(3-methylbutyl)-λ4-sulfane
SMILESCC(C)CCS(CCC(C)C)(CCC(C)C)CCC(C)C
InChIInChI=1S/C20H44S/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8/h17-20H,9-16H2,1-8H3
InChIKeyYCPXORIMRVTJRR-UHFFFAOYSA-N
MW316.64 g/mol
LogP6.98
Rot. Bonds12

About tetrakis(3-methylbutyl)-λ4-sulfane

tetrakis(3-methylbutyl)-λ4-sulfane (PubChem CID 87113718) has the molecular formula C20H44S and a molecular weight of 316.64 g/mol. Its IUPAC name is tetrakis(3-methylbutyl)-λ4-sulfane.

Molecular Properties

Compound Nametetrakis(3-methylbutyl)-λ4-sulfane
PubChem CID87113718
Molecular FormulaC20H44S
Molecular Weight316.64 g/mol
Exact Mass316.32
IUPAC Nametetrakis(3-methylbutyl)-λ4-sulfane
SMILESCC(C)CCS(CCC(C)C)(CCC(C)C)CCC(C)C
InChIInChI=1S/C20H44S/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8/h17-20H,9-16H2,1-8H3
InChIKeyYCPXORIMRVTJRR-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.64
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-1-methylsulfonylbutane
CID 20712453
lithium 3-methylbutane-1-sulfonate
CID 122481809
3-methylbutane-1-sulfonyl bromide
CID 87774159
bis(3-methylbutane-1-sulfonate);nickel(2+)
CID 18692785
lithium;hydride;3-methylbutane-1-sulfonic acid
CID 174653708
hydroxy-imino-(3-methylbutyl)-methylidene-λ6-sulfane
CID 163475269
1-(2,2-dimethylpropylsulfonylsulfonyl)-3-methylbutane
CID 88519722
3-(3-methylbutylsulfonyl)butan-2-one
CID 107767934
3-(3-methylbutylsulfonyl)propan-1-amine
CID 59317374
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-methylbutyl)-λ4-sulfane?
The IUPAC name of tetrakis(3-methylbutyl)-λ4-sulfane (CID 87113718) is tetrakis(3-methylbutyl)-λ4-sulfane.
What is the SMILES notation for tetrakis(3-methylbutyl)-λ4-sulfane?
The canonical SMILES for tetrakis(3-methylbutyl)-λ4-sulfane is CC(C)CCS(CCC(C)C)(CCC(C)C)CCC(C)C.
What is the InChIKey of tetrakis(3-methylbutyl)-λ4-sulfane?
The InChIKey is YCPXORIMRVTJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44S/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8/h17-20H,9-16H2,1-8H3.
What are the key properties of tetrakis(3-methylbutyl)-λ4-sulfane?
tetrakis(3-methylbutyl)-λ4-sulfane has a molecular weight of 316.64 g/mol, XLogP of 6.98, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-methylbutyl)-λ4-sulfane is sourced from PubChem (CID 87113718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).