Cas no 120271-23-0 (1-isothiocyanato-15-methylsulfanylpentadecane)
120271-23-0 structure
Product Name:1-isothiocyanato-15-methylsulfanylpentadecane
CAS No:120271-23-0
MF:C17H33NS2
MW:315.580622434616
CID:2617008
PubChem ID:71339727
Update Time:2025-04-21
1-isothiocyanato-15-methylsulfanylpentadecane Chemical and Physical Properties
Names and Identifiers
-
- 1-isothiocyanato-15-methylsulfanylpentadecane
- 120271-23-0
- 1-ISOTHIOCYANATO-15-(METHYLSULFANYL)PENTADECANE
- DTXSID70767092
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- Inchi： 1S/C17H33NS2/c1-20-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-18-17-19/h2-16H2,1H3
- InChI Key： PYSSXKUUGTYCTF-UHFFFAOYSA-N
- SMILES： S(C)CCCCCCCCCCCCCCCN=C=S
Computed Properties
- Exact Mass: 315.20544240Da
- Monoisotopic Mass: 315.20544240Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 16
- Complexity: 225
- 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: 8.5
- Topological Polar Surface Area: 69.8?2
1-isothiocyanato-15-methylsulfanylpentadecane Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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