AG002LEE

2290-65-5 | Isothiocyanatotrimethylsilane

AG002LEE

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CAS Number	2290-65-5
Catalog Number	AG002LEE(AGN-PC-0JLP9O)
Chemical Name	Isothiocyanatotrimethylsilane
EC Number	218-929-7
IUPAC Name	isothiocyanato(trimethyl)silane
InChI	InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
InChI Key	XLTUPERVRFLGLJ-UHFFFAOYSA-N
MDL Number	MFCD00004797
Molecular Formula	C4H9NSSi
Molecular Weight	131.2715
SMILES	C[Si](C)(C)N=C=S
Synonyms	TMS-ITC, trimethylsilylisothiocyanate, Trimethylsilyl isothiocyanate, 2290-65-5, Trimethylsilylisothiocyanate, Isothiocyanatotrimethylsilane, Silane, isothiocyanatotrimethyl-, (Trimethylsilyl)isothiocyanate, Isothiocyanato(trimethyl)silane, XLTUPERVRFLGLJ-UHFFFAOYSA-N, MFCD00004797, TMSisothiocyanate, TMS-isothiocyanate, EINECS 218-929-7, ACMC-1CLHJ, AC1L2OGU, AC1Q7EUK, trimethylsilyl-isothiocyanate, trimethylsilyl isothio-cyanate, SCHEMBL837256, Silane,isothiocyanatotrimethyl-, DTXSID4062307, CTK4F0425, Isothiocyanato(trimethyl)silane #, (Trimethylsilyl)isothiocyanate, 99%, AKOS028108504, ZINC169743097, FS-5342, TC-164766, FT-0729941, J-014895, I14-92379, C4H9NSSi, C4-H9-N-S-Si, CID75297, AR-1J2841, 23509-58-2,

Complexity	98.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.022g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.268g/mol
Monoisotopic Mass	131.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H226-H301+H311+H331-H315-H319-H334-H335-H301-H331
Packing Group	Ⅲ
Precautionary statements	P309-P310-P261-P280-P301+P310-P305+P351+P338-P311
UN Code	UN 1992

Certificate of Analysis

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