AG003TRY

273-13-2 | 2,1,3-Benzothiadiazole

AG003TRY

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CAS Number	273-13-2
Catalog Number	AG003TRY(AGN-PC-0JL7UC)
Chemical Name	2,1,3-Benzothiadiazole
EC Number	205-985-2
IUPAC Name	2,1,3-benzothiadiazole
InChI	InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChI Key	PDQRQJVPEFGVRK-UHFFFAOYSA-N
MDL Number	MFCD00005809
Molecular Formula	C6H4N2S
Molecular Weight	136.1744
SMILES	C1=CC=CC2=NSN=C12
Synonyms	1,2,3-benzothiadiazole, 2,1,3-benzothiadiazole, benzo-1,2,3-thiadiazole, benzothiadiazole, 2,1,3-Benzothiadiazole, 273-13-2, Piazthiole, Benzisothiadiazole, benzo[c][1,2,5]thiadiazole, Benzo[1,2,5]thiadiazole, 2-Thia-1,3-diaza-2H-isoindene, 3,4-Benzo-1,2,5-thiadiazole, CHEMBL283327, NSC679, 2,1,3-Benzothiadiazole, 98%, PDQRQJVPEFGVRK-UHFFFAOYSA-N, MFCD00005809, 2,3-Benzothiadiazole, 3,2,5-thiadiazole, benzo-1,2,5-thiadiazole, benzo[c]1,2,5-thiadiazole, piazthiole(van), Piazthiole (VAN), NSC 679, EINECS 205-985-2, NSC 43636, PubChem15689, ACMC-209gwc, AI3-23487, AC1Q4XNJ, benzo[2,1,3]thiadiazole, 2,1,3-?Benzothiadiazole, AC1L27OT, 2??,1,3-benzothiadiazole, SCHEMBL20886, KSC202O2B, Jsp005315, DTXSID3059767, SCHEMBL17948244, CTK1A2720, NSC-679, HMS1782J14, ZINC151237, 3, 4-Benzo-1,2,5-thiadiazole, 2-Thia-1, 3-diaza-2H-isoindene, NSC43636, ANW-26170, BDBM50098751, CB0070, NSC-43636, SBB083979, STL301081, AKOS000121527, AKOS001040879, AC-8841, AN-7586, CS-W017754, EH00004, LS41252, MCULE-3933011208, NE12811, RP20284, RTC-062249, TRA0030819, KS-00000E86, AJ-12641, AK-46656, AS-10911, BR-46656, CJ-01114, SC-12534, SY015401, ZB005098, AB1007171, DB-019578, ST2415550, TC-062249, AM20050165, B0921, FT-0608995, ST50480063, MFCD00005809 (98%), M-6436, 77169-EP2308849A1, 77169-EP2308850A1, 273B132, AC-907/25014100, I01-0079, W-107119, 8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen, InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4, 73-13-2, C6H4N2S, C6-H4-N2-S, CID67502, 2,1,3-Benzothiadiazole, 98% 5g, AR-1L0970, ACN-050091, C2342, 2,1,3-Benzothiadiazole, 98% - 25G 25g, 94597-38-3,

Complexity	95.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.01g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.172g/mol
Monoisotopic Mass	136.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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