AG007K1W

2987-46-4 | Thiocyanic acid,4-aminophenyl ester

AG007K1W

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CAS Number	2987-46-4
Catalog Number	AG007K1W(AGN-PC-0JLPYJ)
Chemical Name	Thiocyanic acid,4-aminophenyl ester
IUPAC Name	(4-aminophenyl) thiocyanate
InChI	InChI=1S/C7H6N2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,9H2
InChI Key	NJYFRQQXXXRJHK-UHFFFAOYSA-N
MDL Number	MFCD00042820
Molecular Formula	C7H6N2S
Molecular Weight	150.2009
NSC Number	227955
SMILES	NC1=CC=C(SC#N)C=C1
Synonyms	2987-46-4, 4-aminophenyl thiocyanate, 4-Thiocyanoaniline, Rodan, Rhodan, p-Rhodananiline, p-Thiocyanatoaniline, p-Thiocyano-aniline, 4-Thiocyanatoaniline, Anilinrhodanil, Aniline, p-thiocyanato-, Thiocyanic acid, p-aminophenyl ester, Rodan [Czech], 1-Amino-4-thiocyanatobenzene, 4-Thiocyanatobenzenamine, Anilinrhodanil [German], [(4-aminophenyl)sulfanyl]formonitrile, Thiocyanic acid,4-aminophenyl ester, Thiocyanic acid, 4-aminophenyl ester, NSC 227955, BRN 1365182, AI3-24798, Enamine_005494, AC1L2QOT, WLN: ZR DSCN, Thiocyanic acid, 4-aminophenyl ester (9CI), (4-Aminophenyl)thiocyanate, (4-aminophenyl) thiocyanate, 4-13-00-01303 (Beilstein Handbook Reference), SCHEMBL126505, (4-aminophenyl)thiocarbonitrile, AC1Q525M, CTK4G3976, DTXSID20183985, NJYFRQQXXXRJHK-UHFFFAOYSA-N, HMS1409J16, ZINC1757899, MFCD00042820, NSC227955, AKOS000313286, MCULE-8383505951, NE60037, NSC-227955, NS-01155, LS-152626, ST45025513, EN300-08037, thiocyanatoaniline, thiocyanicacid,p-aminophenylester, C7-H6-N2-S, CID76336,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.199g/mol
Monoisotopic Mass	150.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H331
Packing Group	Ⅲ
Precautionary statements	P261-P311
UN Code	UN 2811

Certificate of Analysis

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