Cas no 16586-53-1 (2-Benzothiazolamine,6-methoxy-4-nitro-)
16586-53-1 structure
Product Name:2-Benzothiazolamine,6-methoxy-4-nitro-
CAS No:16586-53-1
MF:C8H7N3O3S
MW:225.224479913712
CID:121746
PubChem ID:3593398
Update Time:2025-04-18
2-Benzothiazolamine,6-methoxy-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine,6-methoxy-4-nitro-
- Benzothiazole, 2-amino-6-methoxy-4-nitro- (8CI)
- 2-Amino-6-methoxy-4-nitrobenzothiazole
- Benzothiazole,2-amino-6-methoxy-4-nitro-(8ci)
- AKOS000299486
- 6-Methoxy-4-nitro-2-benzothiazolamine
- 2-Benzothiazolamine, 6-methoxy-4-nitro-
- 16586-53-1
- DTXSID701288072
- 6-methoxy-4-nitro-1,3-benzothiazol-2-amine
- SCHEMBL10968866
-
- Inchi： 1S/C8H7N3O3S/c1-14-4-2-5(11(12)13)7-6(3-4)15-8(9)10-7/h2-3H,1H3,(H2,9,10)
- InChI Key： LOIOIBDQQQUQOH-UHFFFAOYSA-N
- SMILES： S1C(N)=NC2C(=CC(=CC1=2)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 225.02091
- Monoisotopic Mass: 225.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 1.8
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 91.28
2-Benzothiazolamine,6-methoxy-4-nitro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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