Cas no 16597-35-6 (2(1H)-Pyrimidinethione,tetrahydro-1,3-dimethyl-)
16597-35-6 structure
Product Name:2(1H)-Pyrimidinethione,tetrahydro-1,3-dimethyl-
CAS No:16597-35-6
MF:C6H12N2S
MW:144.237879753113
CID:157607
PubChem ID:27947
Update Time:2025-04-19
2(1H)-Pyrimidinethione,tetrahydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinethione,tetrahydro-1,3-dimethyl-
- 1,3-dimethyl-1,3-diazinane-2-thione
- NNDIMETHYLTRIMETHYLENETHIOUREA
- N,N'-Dimethyltrimethylenethiourea
- Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinethione
- 1,3-Dimethylhexahydropyrimidine-2-thione
- 3,4,5,6-Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinethione
- 2-PYRIMIDINETHIONE,TETRAHYDRO,1,3-DIMETHYL
- DTXSID20168055
- InChI=1/C6H12N2S/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H
- CHEMBL11683
- BRN 0742227
- 1,3-Dimethyltetrahydro-2(1H)-pyrimidinethione
- 1,3-Dimethyltetrahydro-2(1H)-pyrimidinethione #
- SCHEMBL11424733
- 2(1H)-PYRIMIDINETHIONE, TETRAHYDRO-1,3-DIMETHYL-
- 1,3-dimethyltetrahydropyrimidine-2(1H)-thione
- 16597-35-6
- JILASYJQVXOLSP-UHFFFAOYSA-N
-
- Inchi： 1S/C6H12N2S/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3
- InChI Key： JILASYJQVXOLSP-UHFFFAOYSA-N
- SMILES： S=C1N(C)CCCN1C
Computed Properties
- Exact Mass: 144.07226
- Monoisotopic Mass: 144.072119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 112
- 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
- Topological Polar Surface Area: 38.6
- XLogP3: 0.5
Experimental Properties
- Density: 1.12
- Boiling Point: 296.1°Cat760mmHg
- Flash Point: 132.9°C
- Refractive Index: 1.582
- PSA: 6.48
2(1H)-Pyrimidinethione,tetrahydro-1,3-dimethyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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