Cas no 107586-87-8 (2,7-Benzothiazolediamine,4-nitro-)
107586-87-8 structure
Product Name:2,7-Benzothiazolediamine,4-nitro-
CAS No:107586-87-8
MF:C7H6N4O2S
MW:210.213139057159
CID:127610
PubChem ID:13741047
Update Time:2025-04-18
2,7-Benzothiazolediamine,4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Benzothiazolediamine,4-nitro-
- 2,7-Benzothiazolediamine,4-nitro-(9CI)
- 107586-87-8
- 4-nitro-1,3-benzothiazole-2,7-diamine
-
- Inchi： 1S/C7H6N4O2S/c8-3-1-2-4(11(12)13)5-6(3)14-7(9)10-5/h1-2H,8H2,(H2,9,10)
- InChI Key： GBPDFDQVFTUIJW-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C(=CC=C(C1=2)N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 210.02128
- Monoisotopic Mass: 210.02114662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 246
- 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: 1.2
- Topological Polar Surface Area: 139?2
Experimental Properties
- PSA: 108.07
2,7-Benzothiazolediamine,4-nitro- Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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