Cas no 302918-03-2 (2-Thiazoleacetonitrile, 4-(3-nitrophenyl)-)
302918-03-2 structure
Product Name:2-Thiazoleacetonitrile, 4-(3-nitrophenyl)-
CAS No:302918-03-2
MF:C11H7N3O2S
MW:245.257180452347
CID:1442262
PubChem ID:2803668
Update Time:2025-04-20
2-Thiazoleacetonitrile, 4-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazoleacetonitrile, 4-(3-nitrophenyl)-
- (4-(3-NITROPHENYL)-1,3-THIAZOL-2-YL)ACETONITRILE
- AKOS000174318
- Oprea1_738041
- 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
- 302918-03-2
- [4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile
-
- Inchi： 1S/C11H7N3O2S/c12-5-4-11-13-10(7-17-11)8-2-1-3-9(6-8)14(15)16/h1-3,6-7H,4H2
- InChI Key： ABKAYHUEIOAOGT-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=C(C=2)[N+](=O)[O-])N=C1CC#N
Computed Properties
- Exact Mass: 245.02601
- Monoisotopic Mass: 245.02589765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 335
- 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: 2.1
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 79.82
2-Thiazoleacetonitrile, 4-(3-nitrophenyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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