Cas no 76033-78-8 (1-Piperazinecarbothioamide,N,N,4-trimethyl-)
76033-78-8 structure
Product Name:1-Piperazinecarbothioamide,N,N,4-trimethyl-
CAS No:76033-78-8
MF:C8H17N3S
MW:187.305680036545
CID:560851
PubChem ID:20574633
Update Time:2025-04-19
1-Piperazinecarbothioamide,N,N,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarbothioamide,N,N,4-trimethyl-
- 1-Piperazinecarbothioamide,N,N,4-trimethyl-(9CI)
- N-(1-METHYLETHYL)PIPERAZINE-1-CARBOTHIOAMIDE
- N,N,4-trimethylpiperazine-1-carbothioamide
- DTXSID40608887
- SCHEMBL11343940
- 76033-78-8
-
- Inchi： 1S/C8H17N3S/c1-9(2)8(12)11-6-4-10(3)5-7-11/h4-7H2,1-3H3
- InChI Key： HIOSKZYJXVXCRK-UHFFFAOYSA-N
- SMILES： S=C(N(C)C)N1CCN(C)CC1
Computed Properties
- Exact Mass: 187.11451
- Monoisotopic Mass: 187.11431873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 162
- 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: 0.1
- Topological Polar Surface Area: 41.8?2
Experimental Properties
- PSA: 9.72
1-Piperazinecarbothioamide,N,N,4-trimethyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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