Cas no 29228-88-4 (2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)-)
29228-88-4 structure
Product Name:2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)-
CAS No:29228-88-4
MF:C7H14N2S
MW:158.264460086823
CID:1439504
PubChem ID:12410418
Update Time:2025-04-20
2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)-
- 1-propan-2-yl-1,3-diazinane-2-thione
- ODTWXCKLJDBJOB-UHFFFAOYSA-N
- SCHEMBL6609022
- 1-isopropyltetrahydropyrimidine-2-thione
- 29228-88-4
- 1-(Propan-2-yl)tetrahydropyrimidine-2(1H)-thione
- DTXSID90496973
-
- Inchi： 1S/C7H14N2S/c1-6(2)9-5-3-4-8-7(9)10/h6H,3-5H2,1-2H3,(H,8,10)
- InChI Key： ODTWXCKLJDBJOB-UHFFFAOYSA-N
- SMILES： S=C1NCCCN1C(C)C
Computed Properties
- Exact Mass: 158.08792
- Monoisotopic Mass: 158.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- 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: 1.1
- Topological Polar Surface Area: 47.4?2
Experimental Properties
- PSA: 15.27
2(1H)-Pyrimidinethione, tetrahydro-1-(1-methylethyl)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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