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

C12H22S — CID 123887238

IUPACtrimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane
SMILESCC1=C(C)C(S(C)(C)C)C(C)=C1C
InChIInChI=1S/C12H22S/c1-8-9(2)11(4)12(10(8)3)13(5,6)7/h12H,1-7H3
InChIKeyJIACRHWNHJRUMK-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.74
Rot. Bonds1

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

trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane (PubChem CID 123887238) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane
PubChem CID123887238
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Nametrimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane
SMILESCC1=C(C)C(S(C)(C)C)C(C)=C1C
InChIInChI=1S/C12H22S/c1-8-9(2)11(4)12(10(8)3)13(5,6)7/h12H,1-7H3
InChIKeyJIACRHWNHJRUMK-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane?
The IUPAC name of trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane (CID 123887238) is trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane?
The canonical SMILES for trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane is CC1=C(C)C(S(C)(C)C)C(C)=C1C.
What is the InChIKey of trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane?
The InChIKey is JIACRHWNHJRUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-8-9(2)11(4)12(10(8)3)13(5,6)7/h12H,1-7H3.
What are the key properties of trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane?
trimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-λ4-sulfane has a molecular weight of 198.37 g/mol, XLogP of 3.74, 1 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)-λ4-sulfane is sourced from PubChem (CID 123887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).