Cas no 25029-11-2 (Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-, trans-)
25029-11-2 structure
Product Name:Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-, trans-
CAS No:25029-11-2
MF:C12H18N2S2
MW:254.414720058441
CID:273214
PubChem ID:90694
Update Time:2025-04-19
Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-, trans-
- 1,4-bis(2-isothiocyanatoethyl)cyclohexane
- trans-1,4-Bis(2-isothiocyanatoethyl)cyclohexane
- DTXSID30179738
- NS00027794
- 25029-11-2
- EINECS 246-576-9
-
- Inchi： 1S/C12H18N2S2/c15-9-13-7-5-11-1-2-12(4-3-11)6-8-14-10-16/h11-12H,1-8H2
- InChI Key： GQSJCHSMDBWAQK-UHFFFAOYSA-N
- SMILES： S=C=NCCC1CCC(CCN=C=S)CC1
Computed Properties
- Exact Mass: 254.09134
- Monoisotopic Mass: 254.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 253
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.1
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- Density: 1.13
- Boiling Point: 409.1°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.594
- PSA: 24.72
Cyclohexane,1,4-bis(2-isothiocyanatoethyl)-, trans- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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