Cas no 1006482-09-2 (1-Benzyl-3-isothiocyanato-1H-pyrazole)
1006482-09-2 structure
Product Name:1-Benzyl-3-isothiocyanato-1H-pyrazole
CAS No:1006482-09-2
MF:C11H9N3S
MW:215.274260282516
CID:2111714
Update Time:2023-08-04
1-Benzyl-3-isothiocyanato-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 1-benzyl-3-isothiocyanato-1H-pyrazole
- 1-Benzyl-3-isothiocyanato-1H-pyrazole
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- Inchi: 1S/C11H9N3S/c15-9-12-11-6-7-14(13-11)8-10-4-2-1-3-5-10/h1-7H,8H2
- InChI Key: XMDCCIKCGQCLSC-UHFFFAOYSA-N
- SMILES: S=C=NC1C=CN(CC2C=CC=CC=2)N=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 244
- Topological Polar Surface Area: 62.3
1-Benzyl-3-isothiocyanato-1H-pyrazole Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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