Cas no 652131-88-9 (1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]-)
![1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]- structure](https://ossimg.kuujia.com/scimg/652500/652131-88-9x500.png)
652131-88-9 structure
Product Name:1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]-
CAS No:652131-88-9
MF:C10H18N2OS
MW:214.327721118927
CID:402778
PubChem ID:12074289
Update Time:2025-04-19
1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]-
- 3-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]propan-1-ol
- DTXSID70477048
- 652131-88-9
-
- Inchi： 1S/C10H18N2OS/c1-9-8-10(2)12(11-9)4-7-14-6-3-5-13/h8,13H,3-7H2,1-2H3
- InChI Key： CZGZCBMBAQZLOF-UHFFFAOYSA-N
- SMILES： S(CCCO)CCN1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 214.11414
- Monoisotopic Mass: 214.11398438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 157
- 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: 1.3
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 38.05
1-Propanol, 3-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]thio]- Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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