2,2-dimethyl-3-methylsulfanylpentane

C8H18S — CID 123924936

IUPAC2,2-dimethyl-3-methylsulfanylpentane
SMILESCCC(SC)C(C)(C)C
InChIInChI=1S/C8H18S/c1-6-7(9-5)8(2,3)4/h7H,6H2,1-5H3
InChIKeyMZCMNEFMNMMUPW-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.17
Rot. Bonds2

About 2,2-dimethyl-3-methylsulfanylpentane

2,2-dimethyl-3-methylsulfanylpentane (PubChem CID 123924936) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylsulfanylpentane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylsulfanylpentane
PubChem CID123924936
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name2,2-dimethyl-3-methylsulfanylpentane
SMILESCCC(SC)C(C)(C)C
InChIInChI=1S/C8H18S/c1-6-7(9-5)8(2,3)4/h7H,6H2,1-5H3
InChIKeyMZCMNEFMNMMUPW-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-methylsulfanylpentane?
The IUPAC name of 2,2-dimethyl-3-methylsulfanylpentane (CID 123924936) is 2,2-dimethyl-3-methylsulfanylpentane.
What is the SMILES notation for 2,2-dimethyl-3-methylsulfanylpentane?
The canonical SMILES for 2,2-dimethyl-3-methylsulfanylpentane is CCC(SC)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylsulfanylpentane?
The InChIKey is MZCMNEFMNMMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-6-7(9-5)8(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-methylsulfanylpentane?
2,2-dimethyl-3-methylsulfanylpentane has a molecular weight of 146.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylsulfanylpentane is sourced from PubChem (CID 123924936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).