AG00DCX4

5407-51-2 | benzothiazole-2,6-diamine

AG00DCX4

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CAS Number	5407-51-2
Catalog Number	AG00DCX4(AGN-PC-0JKFXE)
Chemical Name	benzothiazole-2,6-diamine
IUPAC Name	1,3-benzothiazole-2,6-diamine
InChI	InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
InChI Key	HYBCFWFWKXJYFT-UHFFFAOYSA-N
MDL Number	MFCD00613407
Molecular Formula	C7H7N3S
Molecular Weight	165.2156
NSC Number	5436
SMILES	NC1=NC2=CC=C(N)C=C2S1
UNII	QDC5279V52
Synonyms	5407-51-2, 2,6-Benzothiazolediamine, Benzothiazole-2,6-diamine, 1,3-benzothiazole-2,6-diamine, Benzo[d]thiazole-2,6-diamine, 2,6-Diaminobenzothiazole, 6-Amino-2-aminobenzothiazole, BENZOTHIAZOLE, 2,6-DIAMINO-, UNII-QDC5279V52, NSC 5436, BRN 0127744, 2,6-Diaminobenzo[d]thiazole, AI3-24548, MLS002637811, HYBCFWFWKXJYFT-UHFFFAOYSA-N, QDC5279V52, NSC5436, Benzothiazole,6-diamino-, 2,6-diamino-benzthiazole, AC1L2IH1, Oprea1_113843, Oprea1_139790, 4-27-00-05130 (Beilstein Handbook Reference), SCHEMBL334946, BEN497, CHEMBL328540, 1,3-benzothiazol-2,6-diamine, CTK1G9555, DTXSID70202397, WLN: T56 BN DSJ CZ GZ, HMS3078I03, SP763, ALBB-005803, NSC-5436, ZERO/005860, ZINC8581390, 7764AB, ANW-75198, BBL023480, MFCD00613407, SBB007328, STK172690, AKOS000111308, MCULE-6118988220, AJ-57672, AN-16318, AS-10544, BAS 11775600, LS-40724, SC-27928, SMR000792783, AB0090402, ST4128487, TR-019119, BB 0245711, EU-0000818, FT-0677020, ST24030129, K-9772, 407B512, SR-01000394763, I05-2527, SR-01000394763-1, InChI=1/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10, C7H7N3S, 2,6-Diamine-benzo[d]thiazole, 2,6-Benzothiazolediamine (9CI), C7-H7-N3-S, CID21504, 2,6-Diaminobenzo[d]thiazole, 97% - 1G 1g,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.036g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.214g/mol
Monoisotopic Mass	165.036g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	93.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number