Cas no 61205-72-9 (Benzaldehyde, 2-[(1-methylpropyl)thio]-)
![Benzaldehyde, 2-[(1-methylpropyl)thio]- structure](https://ossimg.kuujia.com/scimg/61500/61205-72-9x500.png)
61205-72-9 structure
Product Name:Benzaldehyde, 2-[(1-methylpropyl)thio]-
CAS No:61205-72-9
MF:C11H14OS
MW:194.293262004852
CID:488503
PubChem ID:12340686
Update Time:2025-04-19
Benzaldehyde, 2-[(1-methylpropyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-[(1-methylpropyl)thio]-
- 2-butan-2-ylsulfanylbenzaldehyde
- DTXSID10491920
- AKOS013114483
- 61205-72-9
- 2-[(Butan-2-yl)sulfanyl]benzaldehyde
-
- Inchi： 1S/C11H14OS/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-9H,3H2,1-2H3
- InChI Key： NGVAJMDKZBZPBV-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C=O)C(C)CC
Computed Properties
- Exact Mass: 194.07662
- Monoisotopic Mass: 194.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 2-[(1-methylpropyl)thio]- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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