Cas no 81012-96-6 (4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate)
81012-96-6 structure
Product Name:4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate
CAS No:81012-96-6
MF:C4H8N4O4S2
MW:240.260717391968
CID:724630
Update Time:2024-02-04
4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate Chemical and Physical Properties
Names and Identifiers
-
- 4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate
- 2,4-DIAMINO-6-MERCAPTOPYRIMIDINE HEMISULFATE
- 2,4-Diamino-6-mercaptopyrimidine hemisulfate,tech.
- 2,4-Diamino-6-mercaptopyrimidine hemisulfate2,6-Diamino-4-pyrimidinethiol,hemisulfate
- 2,6-DIAMINO-4-PYRIMIDINETHIOL,HEMISULFATE
- 2,4-Diamino-6-mercaptopyrimidine
- 2,6-DIAMINO-4-PYRIMIDINETHIOL, HEMISULFATE
- 2,4-Diamino-6-mercaptopyrimidine hemisulfate, 85%,tech
- 2,4-Diamino-6-mercaptopyrimidine hemisulfate, tech.
- 2,4-Diamino-6-mercaptopyrimidine hemisulfate salt
- 2,4-DIAMINO-6-MERCAPTOPYRIMIDINE HEMISULFATE ISO 9001：2015 REACH
-
- Inchi： 1S/C4H6N4S.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
- InChI Key： FVSVUQJNAZQSFX-UHFFFAOYSA-N
- SMILES： NC1NC(N)=NC(=S)C=1.S(O)(O)(=O)=O
Computed Properties
- Exact Mass: 382.03000
- Monoisotopic Mass: 142.031317
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 98.6
- 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
- Surface Charge: -1
- XLogP3: 0
- Topological Polar Surface Area: 77.8
Experimental Properties
- Color/Form: Not available
- Melting Point: 300℃
- Boiling Point: 479.9°C at 760 mmHg
- Flash Point: 244.1°C
- PSA: 316.22000
- LogP: 2.61220
- Solubility: Not available
4-Thioxo-1H-pyrimidine-2,6-diammonium sulphate Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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