2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene

C8H14S3 — CID 86104499

IUPAC2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene
SMILESC=C(C)CSSSCC(=C)C
InChIInChI=1S/C8H14S3/c1-7(2)5-9-11-10-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyULHVHLQVDAKNNX-UHFFFAOYSA-N
MW206.40 g/mol
LogP4.17
Rot. Bonds6

About 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene

2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene (PubChem CID 86104499) has the molecular formula C8H14S3 and a molecular weight of 206.40 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene
PubChem CID86104499
Molecular FormulaC8H14S3
Molecular Weight206.40 g/mol
Exact Mass206.03
IUPAC Name2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene
SMILESC=C(C)CSSSCC(=C)C
InChIInChI=1S/C8H14S3/c1-7(2)5-9-11-10-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKeyULHVHLQVDAKNNX-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene (CID 86104499) is 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene is C=C(C)CSSSCC(=C)C.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene?
The InChIKey is ULHVHLQVDAKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S3/c1-7(2)5-9-11-10-6-8(3)4/h1,3,5-6H2,2,4H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene?
2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene has a molecular weight of 206.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enyltrisulfanyl)prop-1-ene is sourced from PubChem (CID 86104499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).