Cas no 118221-26-4 (Formamide,N-(4-chloro-2-benzothiazolyl)-)
118221-26-4 structure
Product Name:Formamide,N-(4-chloro-2-benzothiazolyl)-
CAS No:118221-26-4
MF:C8H5ClN2OS
MW:212.656099081039
CID:131800
PubChem ID:3359249
Update Time:2025-04-19
Formamide,N-(4-chloro-2-benzothiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Formamide,N-(4-chloro-2-benzothiazolyl)-
- Formamide,N-(4-chloro-2-benzothiazolyl)-(9CI)
- N-(4-Chloro-1,3-benzothiazol-2-yl)formamide
- AKOS024326035
- 4-chloro-1,3-benzothiazol-2-ylformamide
- 118221-26-4
-
- Inchi： 1S/C8H5ClN2OS/c9-5-2-1-3-6-7(5)11-8(13-6)10-4-12/h1-4H,(H,10,11,12)
- InChI Key： NJETYQXTSMIMTM-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C1N=C(NC=O)S2
Computed Properties
- Exact Mass: 211.98125
- Monoisotopic Mass: 211.981
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 2.5
- Topological Polar Surface Area: 70.2?2
Experimental Properties
- PSA: 41.99
Formamide,N-(4-chloro-2-benzothiazolyl)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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