AG005FRG

7170-77-6 | 6-Thiocyanatobenzo[d]thiazol-2-amine

AG005FRG

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CAS Number	7170-77-6
Catalog Number	AG005FRG(AGN-PC-0JLTCV)
Chemical Name	6-Thiocyanatobenzo[d]thiazol-2-amine
EC Number	230-524-7
IUPAC Name	(2-amino-1,3-benzothiazol-6-yl) thiocyanate
InChI	InChI=1S/C8H5N3S2/c9-4-12-5-1-2-6-7(3-5)13-8(10)11-6/h1-3H,(H2,10,11)
InChI Key	FVNSRFMQXKMHTQ-UHFFFAOYSA-N
MDL Number	MFCD00043999
Molecular Formula	C8H5N3S2
Molecular Weight	207.2754
NSC Number	327380
SMILES	NC1=NC2=CC=C(SC#N)C=C2S1
UNII	XTH8LS4QYK
Synonyms	7170-77-6, 6-Thiocyanatobenzo[d]thiazol-2-amine, 2-Amino-6-thiocyanobenzothiazole, 2-Amino-6-thiocyanatobenzothiazole, Thiocyanic acid, 2-amino-6-benzothiazolyl ester, 2-amino-1,3-benzothiazol-6-yl thiocyanate, UNII-XTH8LS4QYK, XTH8LS4QYK, 2-Amino-6-benzothiazolyl thiocyanate, (2-amino-1,3-benzothiazol-6-yl) thiocyanate, EINECS 230-524-7, NSC327380, NSC 327380, 2-amino-1,3-benzothiazol-6-ylthiocyanate, AC1Q4SPC, AC1L31OG, KSC914Q5D, SCHEMBL614629, DTXSID1064584, CTK8B4851, FVNSRFMQXKMHTQ-UHFFFAOYSA-N, HMS1678I17, 2-amino-6-thiocyanato benzothiazole, 6-thiocyanatobenzothiazol-2-ylamine, ACT02333, 6-Thiocyanato-benzothiazol-2-ylamine, ANW-46532, MFCD00043999, ZINC17125685, AKOS000297379, FCH1326134, MCULE-4749102078, NSC-327380, VT10071, KS-0000115W, 2-Amino-6-thiocyanato-1,3-benzothiazole, 2-Amino-6-thiocyanatobenzothiazole, 96%, AJ-69964, AK-72783, BAS 00328997, BR-72783, CC-09086, CJ-15737, OR315734, SC-76296, (2-aminobenzothiazol-6-yl)thiocarbonitrile, AX8010912, DB-020501, ST2406529, TR-023553, FT-0636381, ST50223379, C-10476, SR-01000370550, SR-01000370550-1, I01-17804, F0001-1839, 3-Coumaranone, Benzofuran-3(2H)-one, C8H5N3S2, 2,3-Dihydrobenzo[b]furan-3-one, C8-H5-N3-S2, CID81600, AR-1D8090, Thiocyanic acid, 2-amino-6-benzothiazolyl ester (6CI,7CI,8CI,9CI), 74444-64-7,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.992g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.269g/mol
Monoisotopic Mass	206.992g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number