Cas no 139009-33-9 (Benzaldehyde, 2-[(3-bromophenyl)thio]-)
![Benzaldehyde, 2-[(3-bromophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/139500/139009-33-9x500.png)
139009-33-9 structure
Product Name:Benzaldehyde, 2-[(3-bromophenyl)thio]-
CAS No:139009-33-9
MF:C13H9BrOS
MW:293.178961515427
CID:1259403
PubChem ID:818011
Update Time:2025-04-20
Benzaldehyde, 2-[(3-bromophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-[(3-bromophenyl)thio]-
- 2-(3-bromophenyl)sulfanylbenzaldehyde
- 2-((3-Bromophenyl)thio)benzaldehyde
- 2-[(3-bromophenyl)sulfanyl]benzaldehyde
- AKOS013115232
- 139009-33-9
- AE-641/12752366
-
- Inchi： 1S/C13H9BrOS/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H
- InChI Key： ZTJOUYIZFGSHTJ-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)SC1C=CC=CC=1C=O
Computed Properties
- Exact Mass: 291.95577
- Monoisotopic Mass: 291.95575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 234
- 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: 4.1
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 2-[(3-bromophenyl)thio]- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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