Cas no 81108-80-7 (UREA, N-(4-CHLOROPHENYL)-N'-(6-ETHOXY-2-BENZOTHIAZOLYL)-)
81108-80-7 structure
Product Name:UREA, N-(4-CHLOROPHENYL)-N'-(6-ETHOXY-2-BENZOTHIAZOLYL)-
CAS No:81108-80-7
MF:C16H14ClN3O2S
MW:347.819261074066
CID:3544631
PubChem ID:930081
Update Time:2025-04-22
UREA, N-(4-CHLOROPHENYL)-N'-(6-ETHOXY-2-BENZOTHIAZOLYL)- Chemical and Physical Properties
Names and Identifiers
-
- UREA, N-(4-CHLOROPHENYL)-N'-(6-ETHOXY-2-BENZOTHIAZOLYL)-
- 1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
- STK088145
- Oprea1_219633
- 81108-80-7
- AKOS004110557
- 1-(4-chlorophenyl)-3-(6-ethoxybenzo[d]thiazol-2-yl)urea
-
- Inchi： 1S/C16H14ClN3O2S/c1-2-22-12-7-8-13-14(9-12)23-16(19-13)20-15(21)18-11-5-3-10(17)4-6-11/h3-9H,2H2,1H3,(H2,18,19,20,21)
- InChI Key： VOSUGXHKJXEDGL-UHFFFAOYSA-N
- SMILES： N(C1=CC=C(Cl)C=C1)C(NC1=NC2=CC=C(OCC)C=C2S1)=O
Computed Properties
- Exact Mass: 347.0495256Da
- Monoisotopic Mass: 347.0495256Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 407
- 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: 4.2
- Topological Polar Surface Area: 91.5?2
UREA, N-(4-CHLOROPHENYL)-N'-(6-ETHOXY-2-BENZOTHIAZOLYL)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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