ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane

C7H16S2 — CID 135234827

IUPACethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane
SMILESC#CS(C)(C)S(C)(C)C
InChIInChI=1S/C7H16S2/c1-7-9(5,6)8(2,3)4/h1H,2-6H3
InChIKeyFUOVCUQIEMKXKL-UHFFFAOYSA-N
MW164.34 g/mol
LogP2.25
Rot. Bonds1

About ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane

ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane (PubChem CID 135234827) has the molecular formula C7H16S2 and a molecular weight of 164.34 g/mol. Its IUPAC name is ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane.

Molecular Properties

Compound Nameethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane
PubChem CID135234827
Molecular FormulaC7H16S2
Molecular Weight164.34 g/mol
Exact Mass164.07
IUPAC Nameethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane
SMILESC#CS(C)(C)S(C)(C)C
InChIInChI=1S/C7H16S2/c1-7-9(5,6)8(2,3)4/h1H,2-6H3
InChIKeyFUOVCUQIEMKXKL-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane?
The IUPAC name of ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane (CID 135234827) is ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane.
What is the SMILES notation for ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane?
The canonical SMILES for ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane is C#CS(C)(C)S(C)(C)C.
What is the InChIKey of ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane?
The InChIKey is FUOVCUQIEMKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2/c1-7-9(5,6)8(2,3)4/h1H,2-6H3.
What are the key properties of ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane?
ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane has a molecular weight of 164.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-dimethyl-(trimethyl-λ4-sulfanyl)-λ4-sulfane is sourced from PubChem (CID 135234827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).