5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane

C10H22S2 — CID 172730722

IUPAC5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane
SMILESCSCC(CCC(C)C)CSC
InChIInChI=1S/C10H22S2/c1-9(2)5-6-10(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyHTIRBWYGLHTKMS-UHFFFAOYSA-N
MW206.42 g/mol
LogP3.76
Rot. Bonds7

About 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane

5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane (PubChem CID 172730722) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane.

Molecular Properties

Compound Name5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane
PubChem CID172730722
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Name5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane
SMILESCSCC(CCC(C)C)CSC
InChIInChI=1S/C10H22S2/c1-9(2)5-6-10(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3
InChIKeyHTIRBWYGLHTKMS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane?
The IUPAC name of 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane (CID 172730722) is 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane.
What is the SMILES notation for 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane?
The canonical SMILES for 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane is CSCC(CCC(C)C)CSC.
What is the InChIKey of 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane?
The InChIKey is HTIRBWYGLHTKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2/c1-9(2)5-6-10(7-11-3)8-12-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane?
5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane has a molecular weight of 206.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfanyl-2-(methylsulfanylmethyl)hexane is sourced from PubChem (CID 172730722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).