Cas no 69974-53-4 (1-Piperazinecarbonyl chloride, 4-(thioxomethyl)-)
69974-53-4 structure
Product Name:1-Piperazinecarbonyl chloride, 4-(thioxomethyl)-
CAS No:69974-53-4
MF:C6H9ClN2OS
MW:192.666458845139
CID:974478
Update Time:2023-08-02
1-Piperazinecarbonyl chloride, 4-(thioxomethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Piperazinecarbonylchloride,4-(thioxomethyl)-(9CI)
- 4-methanethioylpiperazine-1-carbonyl chloride
- 1-PIPERAZINECARBONYL CHLORIDE, 4-(THIOXOMETHYL)-
- 1-Piperazinecarbonyl chloride, 4-(thioxomethyl)-
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- Inchi: 1S/C6H9ClN2OS/c7-6(10)9-3-1-8(5-11)2-4-9/h5H,1-4H2
- InChI Key: XUAQHVRWHYIEOI-UHFFFAOYSA-N
- SMILES: ClC(N1CCN(C=S)CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 168
- Topological Polar Surface Area: 55.6
1-Piperazinecarbonyl chloride, 4-(thioxomethyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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