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Benzothiadiazoles
Description:
Heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
Ancestors:
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4，7-Dibromobenzo[c][1，2，5]thiadiazole-5，6-diamineCas Number: 141215-32-9 Compound CID: 68408343Formula: C6H4Br2N4S Molecular Weight: 324IUPAC Name: 4,7-dibromo-2,1,3-benzothiadiazole-5,6-diamineSMILES: C1(=C(C2=NSN=C2C(=C1N)Br)Br)NInChIKey: SFFHORYSGHXVGU-UHFFFAOYSA-NInChI: InChI=1S/C6H4Br2N4S/c7-1-3(9)4(10)2(8)6-5(1)11-13-12-6/h9-10H2 -
2，1，3-Benzothiadiazole-4，7-dicarbonitrileCas Number: 20138-79-8Formula: C8H2N4S Molecular Weight: 186.19328SMILES: C1=C(C2=NSN=C2C(=C1)C#N)C#NInChIKey: POMSJEIURSYOHQ-UHFFFAOYSA-NInChI: InChI=1S/C8H2N4S/c9-3-5-1-2-6(4-10)8-7(5)11-13-12-8/h1-2H
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Benzo[d][1，2，3]thiadiazol-6-amineCas Number: 41972-62-7 Compound CID: 22715331Formula: C6H5N3S Molecular Weight: 151.19IUPAC Name: 1,2,3-benzothiadiazol-6-amineSMILES: C1=CC2=C(C=C1N)SN=N2InChIKey: FHADHGAXUKFKHY-UHFFFAOYSA-NInChI: InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H,7H2
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Benzo[c][1,2,5]thiadiazole-4,5-diamineCas Number: 1711-66-6 Compound CID: 768453Formula: C6H6N4S Molecular Weight: 166.21IUPAC Name: 2,1,3-benzothiadiazole-4,5-diamineSMILES: C1=CC2=NSN=C2C(=C1N)NInChIKey: KBTZPUWOUVFXHS-UHFFFAOYSA-NInChI: InChI=1S/C6H6N4S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,7-8H2
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Benzo-2，1，3-thiadiazole-4-boronic acidCas Number: 499769-94-7 Compound CID: 46739366Formula: C6H5BN2O2S Molecular Weight: 179.99IUPAC Name: 2,1,3-benzothiadiazol-4-ylboronic acidSMILES: B(C1=CC=CC2=NSN=C12)(O)OInChIKey: RVXHEMODAHHASJ-UHFFFAOYSA-NInChI: InChI=1S/C6H5BN2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H
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4-Amino-7-chloro-2，1，3-benzothiadiazoleCas Number: 51323-01-4 Compound CID: 5297382Formula: C6H4ClN3S Molecular Weight: 185.64IUPAC Name: 4-chloro-2,1,3-benzothiadiazol-7-amineSMILES: C1=C(C2=NSN=C2C(=C1)Cl)NInChIKey: NQOQXUUAJLXBGH-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClN3S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,8H2
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Benzo[c][1，2，5]thiadiazol-5-ylmethanolCas Number: 89795-51-7 Compound CID: 2776294IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethanolSMILES: C1=CC2=NSN=C2C=C1COInChIKey: XJUBKVSCNJIWMB-UHFFFAOYSA-NInChI: InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
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5-Nitrobenzo[c][1，2，5]thiadiazoleCas Number: 16252-88-3 Compound CID: 297897Formula: C6H3N3O2S Molecular Weight: 181.17IUPAC Name: 5-nitro-2,1,3-benzothiadiazoleSMILES: C1=CC2=NSN=C2C=C1[N+](=O)[O-]InChIKey: BXZPSERJJMAPSV-UHFFFAOYSA-NInChI: InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H
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Methyl 1，2，3-Benzothiadiazole-5-carboxylateCas Number: 23616-15-1 Compound CID: 2736813Formula: C8H6N2O2S Molecular Weight: 194.21IUPAC Name: methyl 1,2,3-benzothiadiazole-5-carboxylateSMILES: COC(=O)C1=CC2=C(C=C1)SN=N2InChIKey: JCRFJMHWEAYQAA-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3
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5-Amino-6-chloro-2，1，3-benzothiadiazoleCas Number: 100191-31-9 Compound CID: 89586004Formula: C6H4ClN3S Molecular Weight: 185.64IUPAC Name: 5-chloro-2,1,3-benzothiadiazol-6-amineSMILES: C1=C(C(=CC2=NSN=C21)Cl)NInChIKey: CCGIAUJBFGRFHE-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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5-Amino-6-methyl-2，1，3-benzothiadiazoleCas Number: 1230950-52-3 Compound CID: 19691923Formula: C7H7N3S Molecular Weight: 165.22IUPAC Name: 6-methyl-2,1,3-benzothiadiazol-5-amineSMILES: CC1=CC2=NSN=C2C=C1NInChIKey: HVYGXYVHTCFYPM-UHFFFAOYSA-NInChI: InChI=1S/C7H7N3S/c1-4-2-6-7(3-5(4)8)10-11-9-6/h2-3H,8H2,1H3
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4-Chlorobenzo[c][1，2，5]thiadiazoleCas Number: 2207-28-5 Compound CID: 305689Formula: C6H3ClN2S Molecular Weight: 170.62IUPAC Name: 4-chloro-2,1,3-benzothiadiazoleSMILES: C1=CC2=NSN=C2C(=C1)ClInChIKey: IEKBSYUNNVXOCB-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
