Cas no 88686-31-1 (Benzothiazole,4-methoxy-7-methyl-)
88686-31-1 structure
Product Name:Benzothiazole,4-methoxy-7-methyl-
CAS No:88686-31-1
MF:C9H9NOS
MW:179.238860845566
CID:709984
PubChem ID:23253797
Update Time:2025-04-19
Benzothiazole,4-methoxy-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,4-methoxy-7-methyl-
- Benzothiazole, 4-methoxy-7-methyl- (9CI)
- 88686-31-1
- SCHEMBL2202059
- Benzothiazole,4-methoxy-7-methyl-(9ci)
- 4-methoxy-7-methyl-benzothiazole
- LVFHKIBXDHOUDC-UHFFFAOYSA-N
-
- Inchi： 1S/C9H9NOS/c1-6-3-4-7(11-2)8-9(6)12-5-10-8/h3-5H,1-2H3
- InChI Key： LVFHKIBXDHOUDC-UHFFFAOYSA-N
- SMILES： S1C=NC2=C(C=CC(C)=C12)OC
Computed Properties
- Exact Mass: 179.04048508g/mol
- Monoisotopic Mass: 179.04048508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 2.7
- Topological Polar Surface Area: 50.4?2
Benzothiazole,4-methoxy-7-methyl- Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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