Cas no 207277-10-9 (2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)- (9CI))
207277-10-9 structure
Product Name:2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)- (9CI)
CAS No:207277-10-9
MF:C6H6O2S
MW:142.175640583038
CID:1020012
PubChem ID:15851775
Update Time:2025-04-20
2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)- (9CI)
- DB-271304
- 2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)-
- SCHEMBL6745197
- 207277-10-9
-
- Inchi： 1S/C6H6O2S/c7-2-5-1-6(3-8)9-4-5/h1,3-4,7H,2H2
- InChI Key： BMYQANNSUHPSKJ-UHFFFAOYSA-N
- SMILES： S1C=C(CO)C=C1C=O
Computed Properties
- Exact Mass: 142.00885060g/mol
- Monoisotopic Mass: 142.00885060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 105
- 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: 0.5
- Topological Polar Surface Area: 65.5?2
2-Thiophenecarboxaldehyde, 4-(hydroxymethyl)- (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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