2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene

C6H12S3 — CID 12579115

IUPAC2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene
SMILESCSSC(SC)=C(C)C
InChIInChI=1S/C6H12S3/c1-5(2)6(7-3)9-8-4/h1-4H3
InChIKeyCFSNYTMLGBVXNY-UHFFFAOYSA-N
MW180.36 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene

2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene (PubChem CID 12579115) has the molecular formula C6H12S3 and a molecular weight of 180.36 g/mol. Its IUPAC name is 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene
PubChem CID12579115
Molecular FormulaC6H12S3
Molecular Weight180.36 g/mol
Exact Mass180.01
IUPAC Name2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene
SMILESCSSC(SC)=C(C)C
InChIInChI=1S/C6H12S3/c1-5(2)6(7-3)9-8-4/h1-4H3
InChIKeyCFSNYTMLGBVXNY-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene?
The IUPAC name of 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene (CID 12579115) is 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene.
What is the SMILES notation for 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene?
The canonical SMILES for 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene is CSSC(SC)=C(C)C.
What is the InChIKey of 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene?
The InChIKey is CFSNYTMLGBVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S3/c1-5(2)6(7-3)9-8-4/h1-4H3.
What are the key properties of 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene?
2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene has a molecular weight of 180.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methyldisulfanyl)-1-methylsulfanylprop-1-ene is sourced from PubChem (CID 12579115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).