AG003UMY

3674-54-2 | Tetrabutylammonium thiocyanate

AG003UMY

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CAS Number	3674-54-2
Catalog Number	AG003UMY(AGN-PC-0KNV0T)
Chemical Name	Tetrabutylammonium thiocyanate
EC Number	222-943-9
IUPAC Name	tetrabutylazanium;thiocyanate
InChI	InChI=1S/C16H36N.CHNS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1
InChI Key	RSHBFZCIFFBTEW-UHFFFAOYSA-M
MDL Number	MFCD00012140
Molecular Formula	C17H36N2S
Molecular Weight	300.5461
SMILES	CCCC[N+](CCCC)(CCCC)CCCC.[S-]C#N
Synonyms	Tetrabutylammonium thiocyanate, 3674-54-2, Tetrabutylammonium rhodanide, tetra-n-butylammonium thiocyanate, Tetrabutylammoniumthiocyanate, EINECS 222-943-9, TBA thiocyanate, AC1MHZE3, ACMC-1BNA7, tetrabutylazanium thiocyanate, SCHEMBL227484, SCHEMBL5968774, tetrabutylammonium isothiocyanate, CHEMBL1078613, CTK1C3130, DTXSID40190196, ANW-28479, MFCD00012140, AKOS015833650, ACM3674542, ING0005098, RTR-015000, BP-20219, TR-015000, FT-0705708, 1-Butanaminium, N,N,N-tributyl-, thiocyanate, I14-11944, C16H36N.CNS, C16-H36-N.C-N-S, CID3014224, T1278,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.26g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.549g/mol
Monoisotopic Mass	300.26g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	24.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number