AG002TAH

2645-32-1 | Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester

AG002TAH

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CAS Number	2645-32-1
Catalog Number	AG002TAH(AGN-PC-0KLMWR)
Chemical Name	Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester
IUPAC Name	(2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate
InChI	InChI=1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)
InChI Key	ZXOBLNBVNROVLC-UHFFFAOYSA-N
MDL Number	MFCD00830384
Molecular Formula	C7H5N5S2
Molecular Weight	223.2781
SMILES	NC1=NC(=C(C=C1SC#N)SC#N)N
Synonyms	2,6-diaminopyridine-3,5-bis(thiocyanate), PR-619, PR-619, 2645-32-1, 3,5-dithiocyanatopyridine-2,6-diamine, PR 619, 2,6-Diamino-3,5-dithiocyanopyridine, Thiocyanic acid, 2,6-diamino-3,5-pyridinediyl ester, AK161038, Maybridge3_003257, AC1MDW6I, SCHEMBL13024499, CTK0I6119, KS-00000SKI, AOB1115, DTXSID00384716, EX-A179, HMS1440E01, HMS3653C09, BCP07903, JFD01947, MFCD00830384, s7130, ZINC95725713, AKOS024464520, CS-1513, FCH2295945, QC-8206, 2,6-Diamino-3,5-bisthiocyanatopyridine, IDI1_014644, NCGC00371134-01, 4CA-1042, AS-16618, BC600552, HY-13814, SC-96625, AB0004100, AX8294024, PR-619, >=95% (HPLC), FT-0707844, ST24041263, SW208365-2, EC-000.2543, 2,6-Diamino-3,5-dithiocyanato-pyridin, 98%, 2,6-Diaminopyridine-3,5-diyl bis(thiocyanate), A13190, W-5126, (2,6-diamino-5-thiocyanato-3-pyridyl) thiocyanate, (2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate, 2,6-Diamino-3,5-bis(thiocyanato)pyridine, PR-619, {[2,6-DIAMINO-5-(CYANOSULFANYL)PYRIDIN-3-YL]SULFANYL}FORMONITRILE, ACN-027431, CID2817763, Ethanaminium, N,N,N-trimethyl-, bromide, 2,6-diaminopyridine-3,5-bis(thiocyanate), A8212, C570894, Thiocyanic acid, C,C'-(2,6-diamino-3,5-pyridinediyl) ester, 2650-77-3,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.272g/mol
Monoisotopic Mass	222.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	163A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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