2-methyl-2-(methylsulfanylmethylsulfanyl)propane

C6H14S2 — CID 126500587

IUPAC2-methyl-2-(methylsulfanylmethylsulfanyl)propane
SMILESCSCSC(C)(C)C
InChIInChI=1S/C6H14S2/c1-6(2,3)8-5-7-4/h5H2,1-4H3
InChIKeyOVRBXQDORDTIBW-UHFFFAOYSA-N
MW150.31 g/mol
LogP2.84
Rot. Bonds2

About 2-methyl-2-(methylsulfanylmethylsulfanyl)propane

2-methyl-2-(methylsulfanylmethylsulfanyl)propane (PubChem CID 126500587) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfanylmethylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-2-(methylsulfanylmethylsulfanyl)propane
PubChem CID126500587
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name2-methyl-2-(methylsulfanylmethylsulfanyl)propane
SMILESCSCSC(C)(C)C
InChIInChI=1S/C6H14S2/c1-6(2,3)8-5-7-4/h5H2,1-4H3
InChIKeyOVRBXQDORDTIBW-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfanylmethylsulfanyl)propane?
The IUPAC name of 2-methyl-2-(methylsulfanylmethylsulfanyl)propane (CID 126500587) is 2-methyl-2-(methylsulfanylmethylsulfanyl)propane.
What is the SMILES notation for 2-methyl-2-(methylsulfanylmethylsulfanyl)propane?
The canonical SMILES for 2-methyl-2-(methylsulfanylmethylsulfanyl)propane is CSCSC(C)(C)C.
What is the InChIKey of 2-methyl-2-(methylsulfanylmethylsulfanyl)propane?
The InChIKey is OVRBXQDORDTIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-6(2,3)8-5-7-4/h5H2,1-4H3.
What are the key properties of 2-methyl-2-(methylsulfanylmethylsulfanyl)propane?
2-methyl-2-(methylsulfanylmethylsulfanyl)propane has a molecular weight of 150.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfanylmethylsulfanyl)propane is sourced from PubChem (CID 126500587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).