trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane

C9H16S — CID 118328229

IUPACtrimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane
SMILESCC1(C#CS(C)(C)C)CC1
InChIInChI=1S/C9H16S/c1-9(5-6-9)7-8-10(2,3)4/h5-6H2,1-4H3
InChIKeyCPOFITNZGXNZBH-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.44
Rot. Bonds

About trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane

trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane (PubChem CID 118328229) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane
PubChem CID118328229
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Nametrimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane
SMILESCC1(C#CS(C)(C)C)CC1
InChIInChI=1S/C9H16S/c1-9(5-6-9)7-8-10(2,3)4/h5-6H2,1-4H3
InChIKeyCPOFITNZGXNZBH-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(trimethyl-λ4-sulfanyl)ethynyl]cyclopropane-1-sulfonamide
CID 167272241
1-methyl-1-(3-methylbut-1-ynyl)cyclopropane
CID 90734253
1,4-dimethyl-1,4-bis(penta-1,3-diynyl)cyclohexane
CID 21365328
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
1,3-difluoro-5-[2-(1-methylcyclopentyl)ethynyl]benzene
CID 171607951
1-fluoro-2-[2-(1-methylcyclopropyl)ethynyl]benzene
CID 142829374
4-methylthiane-4-carbonitrile
CID 67344978
(1-methylcyclobutyl)-λ2-stannane
CID 174698454
4-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carbonitrile
CID 159986095
1-methyl-1-pentylcyclopropane
CID 524644
1-ethynyl-1-methylcyclononane;methane
CID 158932279
4-methylsulfonyloxane-4-carbonitrile
CID 62474179

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane (CID 118328229) is trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane is CC1(C#CS(C)(C)C)CC1.
What is the InChIKey of trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane?
The InChIKey is CPOFITNZGXNZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-9(5-6-9)7-8-10(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane?
trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane has a molecular weight of 156.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1-methylcyclopropyl)ethynyl]-λ4-sulfane is sourced from PubChem (CID 118328229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).