AG001VZC

165190-76-1 | 2,​1,​3-​Benzothiadiazole, 4,​7-​di-​2-​thienyl-

AG001VZC

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CAS Number	165190-76-1
Catalog Number	AG001VZC(AGN-PC-0JQ6JG)
Chemical Name	2,​1,​3-​Benzothiadiazole, 4,​7-​di-​2-​thienyl-
IUPAC Name	4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
InChI	InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChI Key	XGERJWSXTKVPSV-UHFFFAOYSA-N
MDL Number	MFCD18252231
Molecular Formula	C14H8N2S3
Molecular Weight	300.4217
NSC Number	701994
SMILES	c12c(c(ccc1c1cccs1)c1cccs1)nsn2
Synonyms	165190-76-1, 4,7-Di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole, 4,7-dithiophen-2-yl-2,1,3-benzothiadiazole, 4,7-Di(2-thienyl)-2,1,3-benzothiadiazole, 4,7-di-2-thienyl-2,1,3-Benzothiadiazole, 4,7-Bis(thiophen-2-yl)benzo[c][1,2,5]thiadiazole, AK123225, C14H8N2S3, NSC701994, AC1L9C7O, SCHEMBL41299, CHEMBL2006064, CTK5J7658, DTXSID60327922, XGERJWSXTKVPSV-UHFFFAOYSA-N, KS-00000R6Q, ZINC1862801, 8387AA, MFCD18252231, AKOS016011649, DS-6904, EH00109, NSC-701994, AJ-32144, DA-09535, NCI60_036549, SC-29060, SY033221, 4,7-dithien-2-yl-2,1,3-benzothiadiazole, AX8247403, D4487, FT-0701942, ST24042664, 4,7-bis(2-thienyl)-2,1,3-benzothiadiazole, MFCD18252231 (97%), 2,1,3-Benzothiadiazole, 4,7-di-2-thienyl-, 4,7-bis(thien-2-yl)-2,1,3-benzothiadiazole, 4,7-Di(thiophen-2-yl)-2,1,3-benzothiadiazole, 4,7-Di(thiophen-2-yl)benzo[c ][1,2,5]thiadiazole, dithienylbenzothiadiazole, CID396294,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.985g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.412g/mol
Monoisotopic Mass	299.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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