3,5-dimethyl-2-methylsulfanylhexane

C9H20S — CID 91029397

IUPAC3,5-dimethyl-2-methylsulfanylhexane
SMILESCSC(C)C(C)CC(C)C
InChIInChI=1S/C9H20S/c1-7(2)6-8(3)9(4)10-5/h7-9H,6H2,1-5H3
InChIKeySBRHIJOGKZYSDK-UHFFFAOYSA-N
MW160.33 g/mol
LogP3.42
Rot. Bonds4

About 3,5-dimethyl-2-methylsulfanylhexane

3,5-dimethyl-2-methylsulfanylhexane (PubChem CID 91029397) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylsulfanylhexane.

Molecular Properties

Compound Name3,5-dimethyl-2-methylsulfanylhexane
PubChem CID91029397
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name3,5-dimethyl-2-methylsulfanylhexane
SMILESCSC(C)C(C)CC(C)C
InChIInChI=1S/C9H20S/c1-7(2)6-8(3)9(4)10-5/h7-9H,6H2,1-5H3
InChIKeySBRHIJOGKZYSDK-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylsulfanylhexane?
The IUPAC name of 3,5-dimethyl-2-methylsulfanylhexane (CID 91029397) is 3,5-dimethyl-2-methylsulfanylhexane.
What is the SMILES notation for 3,5-dimethyl-2-methylsulfanylhexane?
The canonical SMILES for 3,5-dimethyl-2-methylsulfanylhexane is CSC(C)C(C)CC(C)C.
What is the InChIKey of 3,5-dimethyl-2-methylsulfanylhexane?
The InChIKey is SBRHIJOGKZYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-7(2)6-8(3)9(4)10-5/h7-9H,6H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-methylsulfanylhexane?
3,5-dimethyl-2-methylsulfanylhexane has a molecular weight of 160.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylsulfanylhexane is sourced from PubChem (CID 91029397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).