Cas no 85695-02-9 (2(1H)-Pyrimidinone, tetrahydro-1-(methylsulfonyl)-)
85695-02-9 structure
Product Name:2(1H)-Pyrimidinone, tetrahydro-1-(methylsulfonyl)-
CAS No:85695-02-9
MF:C5H10N2O3S
MW:178.209499835968
CID:4243595
PubChem ID:13031822
Update Time:2025-04-24
2(1H)-Pyrimidinone, tetrahydro-1-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone, tetrahydro-1-(methylsulfonyl)-
- SBQHRMAMMOUVLZ-UHFFFAOYSA-N
- SCHEMBL11731291
- 1-Mesyl-2-oxo-1,3-diaza-cyclohexane
- 85695-02-9
- DS-020568
-
- Inchi： 1S/C5H10N2O3S/c1-11(9,10)7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
- InChI Key： SBQHRMAMMOUVLZ-UHFFFAOYSA-N
- SMILES： S(C)(N1C(NCCC1)=O)(=O)=O
Computed Properties
- Exact Mass: 178.04121336Da
- Monoisotopic Mass: 178.04121336Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 253
- 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: -0.7
- Topological Polar Surface Area: 74.9?2
2(1H)-Pyrimidinone, tetrahydro-1-(methylsulfonyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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