Cas no 5366-11-0 (tetrahydro-2-thioxo-4(1H)-Pyrimidinone)
5366-11-0 structure
Product Name:tetrahydro-2-thioxo-4(1H)-Pyrimidinone
CAS No:5366-11-0
MF:C4H6N2OS
MW:130.168239116669
CID:2110702
PubChem ID:12281624
Update Time:2025-04-21
tetrahydro-2-thioxo-4(1H)-Pyrimidinone Chemical and Physical Properties
Names and Identifiers
-
- tetrahydro-2-thioxo-4(1H)-Pyrimidinone
- 5366-11-0
- 5,6-dihydro-2-thiouracil
- Dihydro-2-thiouracil
- 2-sulfanylidene-1,3-diazinan-4-one
- SCHEMBL4891556
- CHEBI:140201
- AKOS006351296
- SCHEMBL11621247
- DA-05111
- DTXSID20873571
- DTXCID901011796
-
- Inchi: 1S/C4H6N2OS/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
- InChI Key: JWTRBTSBTPEKHZ-UHFFFAOYSA-N
- SMILES: S=C1NC(CCN1)=O
Computed Properties
- Exact Mass: 130.02008399g/mol
- Monoisotopic Mass: 130.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 134
- 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: -0.5
- Topological Polar Surface Area: 73.2?2
tetrahydro-2-thioxo-4(1H)-Pyrimidinone Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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