Cas no 194982-76-8 (5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione)
![5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione structure](https://ossimg.kuujia.com/scimg/195000/194982-76-8x500.png)
194982-76-8 structure
Product Name:5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione
CAS No:194982-76-8
MF:C9H13N3S2
MW:227.349618673325
CID:2788691
PubChem ID:23524799
Update Time:2025-04-21
5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione Chemical and Physical Properties
Names and Identifiers
-
- 5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione
- 194982-76-8
- DTXSID20634740
- SCHEMBL13651812
-
- Inchi： 1S/C9H13N3S2/c13-8-7(5-10-9(14)11-8)6-12-3-1-2-4-12/h5H,1-4,6H2,(H2,10,11,13,14)
- InChI Key： NFFJUADMZCFLPU-UHFFFAOYSA-N
- SMILES： S=C1C(=CNC(N1)=S)CN1CCCC1
Computed Properties
- Exact Mass: 227.05508977Da
- Monoisotopic Mass: 227.05508977Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 292
- 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: 0.6
- Topological Polar Surface Area: 91.5?2
5-[(Pyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dithione Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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