Cas no 100347-56-6 (2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI))
100347-56-6 structure
Product Name:2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI)
CAS No:100347-56-6
MF:C7H6N2S2
MW:182.265938282013
CID:166725
PubChem ID:3063273
Update Time:2025-04-19
2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI) Chemical and Physical Properties
Names and Identifiers
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- 2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI)
- 8λ<sup>4</sup>-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-5-ylmethanethiol
- 100347-56-6
- 2,1,3-Benzothia(S(sup IV))diazole-4-methanethiol
- DTXSID10143210
-
- Inchi： 1S/C7H6N2S2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-3,10H,4H2
- InChI Key： LOAWEDNIQUVCNE-UHFFFAOYSA-N
- SMILES： S1N=C2C=CC=C(CS)C2=N1
Computed Properties
- Exact Mass: 181.99738
- Monoisotopic Mass: 181.99724055g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 24.72
2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
100347-56-6 (2,1,3-Benzothiadiazole-2-SIV-4-methanethiol(9CI)) Related Products
- 16405-98-4(2,1,3-benzothiadiazole-5-carboxylic acid)
- 1887-60-1(5,6-Dimethylbenzo-2,1,3-thiadiazole)
- 16406-00-1(Benzo[c][1,2,5]thiadiazol-4-ylmethanol)
- 71605-72-6(2,1,3-Benzothiadiazole-5-carbaldehyde)
- 89795-51-7(Benzoc1,2,5thiadiazol-5-ylmethanol)
- 273-13-2(2,1,3-Benzothiadiazole)
- 1457-92-7(4-methyl-2,1,3-benzothiadiazole)
- 1457-93-8(5-Methyl-2,1,3-benzothiadiazole)
- 17754-05-1(5-(trifluoromethyl)benzo-2,1,3-thiadiazole)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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