Cas no 30826-86-9 (2(1H)-Pyrimidinethione,1,3-diethyltetrahydro-)
30826-86-9 structure
Product Name:2(1H)-Pyrimidinethione,1,3-diethyltetrahydro-
CAS No:30826-86-9
MF:C8H16N2S
MW:172.291040420532
CID:315571
PubChem ID:207806
Update Time:2025-04-19
2(1H)-Pyrimidinethione,1,3-diethyltetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinethione,1,3-diethyltetrahydro-
- 1,3-diethyl-1,3-diazinane-2-thione
- 1,3-Diethyltetrahydropyrimidine-2(1H)-thione
- N,N'-Diethyltrimethylenethiourea
- 2(1H)-Pyrimidinethione, 1,3-diethyltetrahydro-
- BRN 0509181
- DTXSID30184827
- 2(1H)-Pyrimidinethione, tetrahydro-1,3-diethyl-
- 30826-86-9
- Tetrahydro-1,3-diethyl-2(1H)-pyrimidinethione
- SCHEMBL11419208
- CHEMBL276691
-
- Inchi： 1S/C8H16N2S/c1-3-9-6-5-7-10(4-2)8(9)11/h3-7H2,1-2H3
- InChI Key： GDRJMQGTCMCJQV-UHFFFAOYSA-N
- SMILES： S=C1N(CC)CCCN1CC
Computed Properties
- Exact Mass: 172.10358
- Monoisotopic Mass: 172.10341969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 133
- 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: 1.8
- Topological Polar Surface Area: 38.6?2
Experimental Properties
- PSA: 6.48
2(1H)-Pyrimidinethione,1,3-diethyltetrahydro- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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