2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane

C7H16OS2 — CID 121426656

IUPAC2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane
SMILESCSCOC(C)(C)CSC
InChIInChI=1S/C7H16OS2/c1-7(2,5-9-3)8-6-10-4/h5-6H2,1-4H3
InChIKeyFOPSTHMQGJAKSW-UHFFFAOYSA-N
MW180.34 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane

2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane (PubChem CID 121426656) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane
PubChem CID121426656
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane
SMILESCSCOC(C)(C)CSC
InChIInChI=1S/C7H16OS2/c1-7(2,5-9-3)8-6-10-4/h5-6H2,1-4H3
InChIKeyFOPSTHMQGJAKSW-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-{[(propylsulfanyl)ethynyl]oxy}propane
CID 12714703
2-Ethoxy-2-methyl-1-methylsulfanylpropane
CID 20798622
2-Methoxy-2-methyl-1-methylsulfanylpropane
CID 21613151
2-Methyl-2-(2-methylsulfanylethoxy)propane
CID 57917148
2-Methyl-2-(3-methylsulfanylpropoxy)propane
CID 58894079
3-Methoxy-3-methylthietane
CID 89013670
2-Methyl-1-(2-methyl-1-methylsulfanylpropan-2-yl)oxy-2-methylsulfanylpropane
CID 90296559
Methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-lambda4-sulfane
CID 91403041
2-(Tert-butylsulfanylmethoxy)-2-methylpropane
CID 92006365
2-(Ethylsulfanylmethoxy)-2-methylbutane
CID 118028400
2-Methyl-1-methylsulfanyl-2-(1-methylsulfanylethoxy)propane
CID 134565697
5,5-Dimethyl-1,3-oxathiolane
CID 147673484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane?
The IUPAC name of 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane (CID 121426656) is 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane?
The canonical SMILES for 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane is CSCOC(C)(C)CSC.
What is the InChIKey of 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane?
The InChIKey is FOPSTHMQGJAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-7(2,5-9-3)8-6-10-4/h5-6H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane?
2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane has a molecular weight of 180.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane is sourced from PubChem (CID 121426656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).