AG0031P9

30931-67-0 | (2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine

AG0031P9

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CAS Number	30931-67-0
Catalog Number	AG0031P9(AGN-PC-0JKOLL)
Chemical Name	(2Z)-3-ethyl-2-{2-[(2Z)-3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene]hydrazin-1-ylidene}-1,3-benzothiazole-6-sulfonic acid diamine
EC Number	250-396-6
IUPAC Name	azane;(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
InChI	InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;
InChI Key	OHDRQQURAXLVGJ-AXMZSLBLSA-N
MDL Number	MFCD00010404
Molecular Formula	C18H24N6O6S4
Molecular Weight	548.6798
SMILES	[NH4+].[NH4+].N(N=C1SC2=C(N1CC)C=CC(=C2)S(=O)(=O)[O-])=C2SC1=C(N2CC)C=CC(=C1)S(=O)(=O)[O-]
Synonyms	2,2'-azino-di-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, diammonium salt, 2,2'-azinobis(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid), ABTS, diammonium-2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate), ABTS, 30931-67-0, 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, 2,2'-Azino-di-(3-ethylbenzthiazoline sulphonic acid), diammonium salt, 2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt), W-202279, MFCD00010404, AK163497, SCHEMBL2319900, BIA1493, C18H24N6O6S4, ZX-AFC000462, EBD20725, AKOS001042585, AC-26797, AS-14895, FT-0082768, ST24045953, K-7376, I14-18755, diammonium 2,2'-azinobis(3-ethylbenzthiazoline-6-sulphonate);, Diammonium 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonate), 2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)diammonium salt, 2,2'-azinobis-(3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate) diammonium salt, ABTS [=2,2'-Azinobis(3-ethylbenzothiazoline-6-sulfonic Acid Ammonium Salt)] [Spectrophotometric reagent for free chlorine and use as chromogenic substrate in enzyme-immunoassay], ABTS diammonium salt, C18H16N4O6S4.2H4N, C18H18N4O6S4.2H3N, EINECS 250-396-6, N037, C18-H16-N4-O6-S4.2H4-N, Diammonium 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate), 2,2'-Azino-di(3-ethyl-benzthiazoline sulphonic acid (6)), ammonium salt, Diammonium 2,2'-azinobis[3-ethyl-2,3-dihydrobenzothiazole-6-sulphonate], 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis[3-ethyl-2,3-dihydro-, diammonium salt, 6-BENZOTHIAZOLINESULFONIC ACID, 2,2'-AZINOBIS(3-ETHYL-, AMMONIUM SALT (1:2), Ammonium 2,2'-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate),

Complexity	910
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	548.064g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	548.666g/mol
Monoisotopic Mass	548.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	209A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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