Cas no 67193-52-6 (1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]-)
![1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/67500/67193-52-6x500.png)
67193-52-6 structure
Product Name:1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]-
CAS No:67193-52-6
MF:C10H2F6N2S2
MW:328.25670003891
CID:388118
PubChem ID:71368633
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]-
- 3,6-bis(trifluoromethylsulfanyl)benzene-1,2-dicarbonitrile
- 67193-52-6
- 3,6-di(trifluoromethylsulfanyl)phthalonitrile
- 3,6-Bis[(trifluoromethyl)sulfanyl]benzene-1,2-dicarbonitrile
- DTXSID00791688
-
- Inchi： 1S/C10H2F6N2S2/c11-9(12,13)19-7-1-2-8(20-10(14,15)16)6(4-18)5(7)3-17/h1-2H
- InChI Key： AEMMRVYYHZSKPO-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=CC(=C(C#N)C=1C#N)SC(F)(F)F
Computed Properties
- Exact Mass: 327.95635939g/mol
- Monoisotopic Mass: 327.95635939g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 400
- 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: 4.8
- Topological Polar Surface Area: 98.2?2
1,2-Benzenedicarbonitrile, 3,6-bis[(trifluoromethyl)thio]- Related Literature
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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