3-[(Trimethylsilyl)ethynyl]thiophene - CAS 130995-13-0

Catalog:	BB007216
Product Name:	3-[(Trimethylsilyl)ethynyl]thiophene
CAS:	130995-13-0
Synonyms:	trimethyl(2-thiophen-3-ylethynyl)silane

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Computed Properties

IUPAC Name:	trimethyl(2-thiophen-3-ylethynyl)silane
Description:	3-[(Trimethylsilyl)ethynyl]thiophene (CAS# 130995-13-0) is a useful research chemical.
Molecular Weight:	180.34
Molecular Formula:	C9H12SSi
Canonical SMILES:	C[Si](C)(C)C#CC1=CSC=C1
InChI:	InChI=1S/C9H12SSi/c1-11(2,3)7-5-9-4-6-10-8-9/h4,6,8H,1-3H3
InChI Key:	XJUQFUWWPCIZRB-UHFFFAOYSA-N
Boiling Point:	203.6 °C at 760 mmHg
Melting Point:	36-41 °C (lit.)
Purity:	95 %
Density:	0.99 g/cm³
Appearance:	White crystal
MDL:	MFCD04039959
LogP:	2.97700

Publication Number	Title	Priority Date
CN-111961052-A	Preparation method of gamma-carboline derivative	20200902
US-2020388881-A1	Silicon-based energy storage devices with functional thiophene compounds or derivatives of thiophene containing electrolyte additives	20190605
CN-105130916-B	A kind of efficient method for preparing NH-1,2,3 triazole compounds	20150930
JP-2016166168-A	Process for the production of substituted olefins	20150305
JP-6851712-B2	Method for Producing Substituted Olefin	20150305

PMID	Publication Date	Title	Journal
21517057	20110603	Tetrabutylammonium fluoride (TBAF)-catalyzed addition of substituted trialkylsilylalkynes to aldehydes, ketones, and trifluoromethyl ketones	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, 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