2-[(Trimethylsilyl)ethynyl]thiophene - CAS 40231-03-6

Catalog:	BB024382
Product Name:	2-[(Trimethylsilyl)ethynyl]thiophene
CAS:	40231-03-6
Synonyms:	trimethyl(2-thiophen-2-ylethynyl)silane

Technical Data

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Computed Properties

IUPAC Name:	trimethyl(2-thiophen-2-ylethynyl)silane
Description:	2-[(Trimethylsilyl)ethynyl]thiophene (CAS# 40231-03-6) is a useful research chemical compound.
Molecular Weight:	180.34
Molecular Formula:	C9H12SSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CC=CS1
InChI:	InChI=1S/C9H12SSi/c1-11(2,3)8-6-9-5-4-7-10-9/h4-5,7H,1-3H3
InChI Key:	OQUBLKNISPLGJP-UHFFFAOYSA-N
Boiling Point:	95-103 °C
Density:	1.09 g/cm³
MDL:	MFCD03427125
LogP:	2.97700

Publication Number	Title	Priority Date
CN-113130855-A	Surface passivation composition and passivation solution of metal lithium and preparation method of passivation solution	20210412
CN-111211355-A	High-voltage lithium ion battery electrolyte additive, electrolyte and battery thereof	20200115
AU-2019211910-A1	Thiophene derivative and use thereof	20180125
AU-2019211910-A2	Thiophene derivative and use thereof	20180125
CN-111655685-A	Thiophene derivative and use thereof	20180125

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.04289809
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.04289809
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0