Cas no 53606-34-1 (Benzaldehyde, 4-[(2-hydroxyethyl)thio]-)
![Benzaldehyde, 4-[(2-hydroxyethyl)thio]- structure](https://ossimg.kuujia.com/scimg/54000/53606-34-1x500.png)
53606-34-1 structure
Product Name:Benzaldehyde, 4-[(2-hydroxyethyl)thio]-
CAS No:53606-34-1
MF:C9H10O2S
MW:182.239501476288
CID:356861
PubChem ID:14365567
Update Time:2025-04-19
Benzaldehyde, 4-[(2-hydroxyethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-[(2-hydroxyethyl)thio]-
- 4-(2-hydroxyethylsulfanyl)benzaldehyde
- 4-[(2-Hydroxyethyl)sulfanyl]benzaldehyde
- SDPWBDGMNVKHMB-UHFFFAOYSA-N
- 53606-34-1
- DTXSID00559422
- 4-(2-hydroxy-ethylsulfanyl)-benzaldehyde
- AKOS013114878
- SCHEMBL846943
-
- Inchi： 1S/C9H10O2S/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7,10H,5-6H2
- InChI Key： SDPWBDGMNVKHMB-UHFFFAOYSA-N
- SMILES： S(CCO)C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 182.0402
- Monoisotopic Mass: 182.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 131
- 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: 1.3
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzaldehyde, 4-[(2-hydroxyethyl)thio]- Related Literature
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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