Cas no 530080-20-7 (Benzene, 1-bromo-4-[(fluoromethyl)thio]-)
![Benzene, 1-bromo-4-[(fluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/530500/530080-20-7x500.png)
530080-20-7 structure
Product Name:Benzene, 1-bromo-4-[(fluoromethyl)thio]-
CAS No:530080-20-7
MF:C7H6BrFS
MW:221.089943408966
CID:4460332
PubChem ID:85832334
Update Time:2025-04-24
Benzene, 1-bromo-4-[(fluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4-[(fluoromethyl)thio]-
- 1-bromo-4-[(fluoromethyl)sulfanyl]benzene
- 530080-20-7
- SCHEMBL14821022
- 1-Bromo-4-(fluoromethyl)sulfanylbenzene
-
- Inchi： 1S/C7H6BrFS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2
- InChI Key： QQNYRBOOKDNKTK-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=C(SCF)C=C1
Computed Properties
- Exact Mass: 219.93576Da
- Monoisotopic Mass: 219.93576Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 91.6
- 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: 3.6
- Topological Polar Surface Area: 25.3?2
Benzene, 1-bromo-4-[(fluoromethyl)thio]- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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