(Trimethylsilyl)isothiocyanate - CAS 2290-65-5

Catalog:	BB017809
Product Name:	(Trimethylsilyl)isothiocyanate
CAS:	2290-65-5
Synonyms:	isothiocyanato(trimethyl)silane

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Computed Properties

IUPAC Name:	isothiocyanato(trimethyl)silane
Description:	(Trimethylsilyl)isothiocyanate (CAS# 2290-65-5) is a useful research chemical compound.
Molecular Weight:	131.27
Molecular Formula:	C4H9NSSi
Canonical SMILES:	C[Si](C)(C)N=C=S
InChI:	InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
InChI Key:	XLTUPERVRFLGLJ-UHFFFAOYSA-N
Boiling Point:	143 ℃ (lit.)
Density:	0.931 g/mL at 25 ℃ (lit.)
MDL:	MFCD00004797
LogP:	1.92410

Publication Number	Title	Priority Date
CN-113185470-A	Preparation method of prothioconazole	20210412
CN-113054256-A	Electrolyte additive, electrolyte and sodium ion battery	20210204
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
CN-113262218-A	Application of isothiocyanate compounds	20200214
KR-102288569-B1	Electrolyte composition for lithium air battery and lithium air battery comprising the same	20200130

PMID	Publication Date	Title	Journal
18336040	20080404	Reactivity of fullerene epoxide: preparation of fullerene-fused thiirane, tetrahydrothiazolidin-2-one, and 1,3-dioxolane	The Journal of organic chemistry
12968341	20030821	Multiple pathways in the synthesis of new annelated analogues of 6-benzyl-1-(ethoxymethyl)-5-isopropyluracil (emivirine)	Organic & biomolecular chemistry
11846383	20020301	C-terminal sequence analysis of peptides using triphenylgermanyl isothiocyanate	Analytical biochemistry
11838541	20011001	Chemical carboxyl-terminal sequence analysis of peptides and proteins using tribenzylsilyl isothiocyanate	Journal of protein chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P285, P301+P310, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	98.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.02249700
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.02249700
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0