Cas no 20898-91-3 (2-Thiophenemethanol,4-nitro-)
2-Thiophenemethanol,4-nitro- structure
Product Name:2-Thiophenemethanol,4-nitro-
CAS No:20898-91-3
MF:C5H5NO3S
MW:159.163100004196
CID:241756
PubChem ID:12583134
Update Time:2025-04-19
2-Thiophenemethanol,4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenemethanol,4-nitro-
- 2-Thiophenemethanol, 4-nitro- (8CI,9CI)
- (4-nitrothiophen-2-yl)methanol
- SCHEMBL5117834
- 20898-91-3
-
- Inchi： 1S/C5H5NO3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7H,2H2
- InChI Key： UQIITIJJZXPUGN-UHFFFAOYSA-N
- SMILES： S1C=C(C=C1CO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 158.99905
- Monoisotopic Mass: 158.99901420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 135
- 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: 0.6
- Topological Polar Surface Area: 94.3?2
Experimental Properties
- PSA: 63.37
2-Thiophenemethanol,4-nitro- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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