Cas no 13545-66-9 (2(3H)-Benzothiazolone,6-methoxy-3-methyl-, 2-(3-methyl-2(3H)-benzothiazolylidene)hydrazone)
13545-66-9 structure
Product Name:2(3H)-Benzothiazolone,6-methoxy-3-methyl-, 2-(3-methyl-2(3H)-benzothiazolylidene)hydrazone
CAS No:13545-66-9
MF:C17H16N4OS2
MW:356.465140342712
CID:119714
PubChem ID:133108901
Update Time:2025-04-18
2(3H)-Benzothiazolone,6-methoxy-3-methyl-, 2-(3-methyl-2(3H)-benzothiazolylidene)hydrazone Chemical and Physical Properties
Names and Identifiers
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- 2(3H)-Benzothiazolone,6-methoxy-3-methyl-, 2-(3-methyl-2(3H)-benzothiazolylidene)hydrazone
- 6-Methoxy-3-methyl-(3-methyl-2(3H)-benzothiazolidine)-hydrazone 2(3H)-benzothiazolone
- 6-methoxy-3-methyl-3H-benzothiazol-2-one (3-methyl-3H-benzothiazol-2-ylidene)-hydrazone
- 13545-66-9
-
- Inchi： 1S/C17H16N4OS2/c1-20-12-6-4-5-7-14(12)23-16(20)18-19-17-21(2)13-9-8-11(22-3)10-15(13)24-17/h4-10H,1-3H3/b18-16+,19-17+
- InChI Key： OMDZPMFRCFZHQT-YWNVXTCZSA-N
- SMILES： S1/C(=N/N=C2\N(C)C3C=CC=CC=3S\2)/N(C)C2C=CC(=CC1=2)OC
Computed Properties
- Exact Mass: 151.00925
- Monoisotopic Mass: 356.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 541
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.2
- Topological Polar Surface Area: 91?2
Experimental Properties
- PSA: 33.12
2(3H)-Benzothiazolone,6-methoxy-3-methyl-, 2-(3-methyl-2(3H)-benzothiazolylidene)hydrazone Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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