Cas no 104569-84-8 (Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]-)
![Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/105000/104569-84-8x500.png)
104569-84-8 structure
Product Name:Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]-
CAS No:104569-84-8
MF:C20H29NS
MW:315.515964269638
CID:1143861
PubChem ID:22152665
Update Time:2025-04-20
Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]-
- 1-isothiocyanato-4-[2-(4-pentylcyclohexyl)ethyl]benzene
- SCHEMBL10347849
- SCHEMBL10347847
- 104569-84-8
- DTXSID50622993
-
- Inchi： 1S/C20H29NS/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-14-20(15-13-19)21-16-22/h12-15,17-18H,2-11H2,1H3
- InChI Key： SCRCEXPGZBAPJG-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)CCC1CCC(CCCCC)CC1
Computed Properties
- Exact Mass: 315.20207110g/mol
- Monoisotopic Mass: 315.20207110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 332
- 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: 9.3
- Topological Polar Surface Area: 44.4?2
Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
104569-84-8 (Benzene, 1-isothiocyanato-4-[2-(trans-4-pentylcyclohexyl)ethyl]-) Related Products
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