trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane

C13H24S — CID 155397114

IUPACtrimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane
SMILESCC1=C(C)C(CS(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H24S/c1-9-10(2)12(4)13(11(9)3)8-14(5,6)7/h13H,8H2,1-7H3
InChIKeyMHLGLFOBPHNONH-UHFFFAOYSA-N
MW212.40 g/mol
LogP3.98
Rot. Bonds2

About trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane

trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane (PubChem CID 155397114) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane
PubChem CID155397114
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Nametrimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane
SMILESCC1=C(C)C(CS(C)(C)C)C(C)=C1C
InChIInChI=1S/C13H24S/c1-9-10(2)12(4)13(11(9)3)8-14(5,6)7/h13H,8H2,1-7H3
InChIKeyMHLGLFOBPHNONH-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane 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 trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane?
The IUPAC name of trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane (CID 155397114) is trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane is CC1=C(C)C(CS(C)(C)C)C(C)=C1C.
What is the InChIKey of trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane?
The InChIKey is MHLGLFOBPHNONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-9-10(2)12(4)13(11(9)3)8-14(5,6)7/h13H,8H2,1-7H3.
What are the key properties of trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane?
trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane has a molecular weight of 212.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-λ4-sulfane is sourced from PubChem (CID 155397114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).