Cas no 128376-61-4 (3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)- (9CI))
128376-61-4 structure
Product Name:3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)- (9CI)
CAS No:128376-61-4
MF:C6H6O2S
MW:142.175640583038
CID:1020849
PubChem ID:14696288
Update Time:2025-04-20
3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)- (9CI)
- 2-hydroxymethyl-3-thiophenecarboxaldehyde
- PCTXXWZVBVLMSW-UHFFFAOYSA-N
- 3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)-
- 2-(HYDROXYMETHYL)THIOPHENE-3-CARBALDEHYDE
- 128376-61-4
- DB-271931
- SCHEMBL6748897
-
- Inchi： 1S/C6H6O2S/c7-3-5-1-2-9-6(5)4-8/h1-3,8H,4H2
- InChI Key： PCTXXWZVBVLMSW-UHFFFAOYSA-N
- SMILES： S1C=CC(C=O)=C1CO
Computed Properties
- Exact Mass: 142.00888
- 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: 0.2
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
3-Thiophenecarboxaldehyde, 2-(hydroxymethyl)- (9CI) Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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