2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane

C11H24S2 — CID 23432626

IUPAC2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane
SMILESCSCC(CSC)(C(C)C)C(C)C
InChIInChI=1S/C11H24S2/c1-9(2)11(7-12-5,8-13-6)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyWGNPUQKEHPFVPF-UHFFFAOYSA-N
MW220.45 g/mol
LogP4.01
Rot. Bonds6

About 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane

2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane (PubChem CID 23432626) has the molecular formula C11H24S2 and a molecular weight of 220.45 g/mol. Its IUPAC name is 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane.

Molecular Properties

Compound Name2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane
PubChem CID23432626
Molecular FormulaC11H24S2
Molecular Weight220.45 g/mol
Exact Mass220.13
IUPAC Name2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane
SMILESCSCC(CSC)(C(C)C)C(C)C
InChIInChI=1S/C11H24S2/c1-9(2)11(7-12-5,8-13-6)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyWGNPUQKEHPFVPF-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane?
The IUPAC name of 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane (CID 23432626) is 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane.
What is the SMILES notation for 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane?
The canonical SMILES for 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane is CSCC(CSC)(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane?
The InChIKey is WGNPUQKEHPFVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S2/c1-9(2)11(7-12-5,8-13-6)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane?
2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane has a molecular weight of 220.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,3-bis(methylsulfanylmethyl)pentane is sourced from PubChem (CID 23432626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).