Cas no 347908-50-3 (1-Piperazinecarbothioamide,N-ethyl-4-methyl-)
347908-50-3 structure
Product Name:1-Piperazinecarbothioamide,N-ethyl-4-methyl-
CAS No:347908-50-3
MF:C8H17N3S
MW:187.305680036545
CID:302720
Update Time:2024-01-27
1-Piperazinecarbothioamide,N-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarbothioamide,N-ethyl-4-methyl-
- 1-Piperazinecarbothioamide,N-ethyl-4-methyl-(9CI)
- N-Ethyl-4-methyl-1-piperazinecarbothioamide
-
- Inchi： 1S/C8H17N3S/c1-3-9-8(12)11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
- InChI Key： IKFGASOKNGAZHX-UHFFFAOYSA-N
- SMILES： N1(C(=S)NCC)CCN(C)CC1
Computed Properties
- Exact Mass: 187.11451
- Monoisotopic Mass: 187.114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 152
- 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
Experimental Properties
- PSA: 18.51
1-Piperazinecarbothioamide,N-ethyl-4-methyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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