2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane

C8H20S3 — CID 87422131

IUPAC2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane
SMILESCC(C)CSSCC(C)C.S
InChIInChI=1S/C8H18S2.H2S/c1-7(2)5-9-10-6-8(3)4;/h7-8H,5-6H2,1-4H3;1H2
InChIKeyZVFZOBUZRNGNHE-UHFFFAOYSA-N
MW212.45 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane

2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane (PubChem CID 87422131) has the molecular formula C8H20S3 and a molecular weight of 212.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane
PubChem CID87422131
Molecular FormulaC8H20S3
Molecular Weight212.45 g/mol
Exact Mass212.07
IUPAC Name2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane
SMILESCC(C)CSSCC(C)C.S
InChIInChI=1S/C8H18S2.H2S/c1-7(2)5-9-10-6-8(3)4;/h7-8H,5-6H2,1-4H3;1H2
InChIKeyZVFZOBUZRNGNHE-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane?
The IUPAC name of 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane (CID 87422131) is 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane.
What is the SMILES notation for 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane?
The canonical SMILES for 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane is CC(C)CSSCC(C)C.S.
What is the InChIKey of 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane?
The InChIKey is ZVFZOBUZRNGNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S2.H2S/c1-7(2)5-9-10-6-8(3)4;/h7-8H,5-6H2,1-4H3;1H2.
What are the key properties of 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane?
2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane has a molecular weight of 212.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyldisulfanyl)propane;sulfane is sourced from PubChem (CID 87422131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).