2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane

C7H16OS2 — CID 85157161

IUPAC2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane
SMILESCSC(S(C)=O)C(C)(C)C
InChIInChI=1S/C7H16OS2/c1-7(2,3)6(9-4)10(5)8/h6H,1-5H3
InChIKeyDGBCVJJGYTZLQT-UHFFFAOYSA-N
MW180.34 g/mol
LogP2.10
Rot. Bonds2

About 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane

2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane (PubChem CID 85157161) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane.

Molecular Properties

Compound Name2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane
PubChem CID85157161
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane
SMILESCSC(S(C)=O)C(C)(C)C
InChIInChI=1S/C7H16OS2/c1-7(2,3)6(9-4)10(5)8/h6H,1-5H3
InChIKeyDGBCVJJGYTZLQT-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane?
The IUPAC name of 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane (CID 85157161) is 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane.
What is the SMILES notation for 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane?
The canonical SMILES for 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane is CSC(S(C)=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane?
The InChIKey is DGBCVJJGYTZLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-7(2,3)6(9-4)10(5)8/h6H,1-5H3.
What are the key properties of 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane?
2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane has a molecular weight of 180.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-methylsulfanyl-1-methylsulfinylpropane is sourced from PubChem (CID 85157161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).