Cas no 107433-77-2 (Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl-)
107433-77-2 structure
Product Name:Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl-
CAS No:107433-77-2
MF:C11H16N2S2
MW:240.388139724731
CID:184593
PubChem ID:184827
Update Time:2025-04-19
Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl-
- 3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethylcyclopentane
- AC1L4FNN
- AC1Q7EUU
- ACMC-20cboh
- AG-J-18205
- AR-1F3877
- CTK4A5430
- 107433-77-2
- DTXSID10910323
-
- Inchi： 1S/C11H16N2S2/c1-8-4-11(2,3)9(5-12-6-14)10(8)13-7-15/h8-10H,4-5H2,1-3H3
- InChI Key： KJZCFJGPGXFPRH-UHFFFAOYSA-N
- SMILES： S=C=NC1C(C)CC(C)(C)C1CN=C=S
Computed Properties
- Exact Mass: 240.07568
- Monoisotopic Mass: 240.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- Density: 1.14
- Boiling Point: 359.6°Cat760mmHg
- Flash Point: 181.4°C
- Refractive Index: 1.593
- PSA: 24.72
Cyclopentane,3-isothiocyanato-2-(isothiocyanatomethyl)-1,1,4-trimethyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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