Cas no 6300-96-5 (6-phenyl-2-sulfanylidene-1,3-diazinan-4-one)
6300-96-5 structure
Product Name:6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
CAS No:6300-96-5
MF:C10H10N2OS
MW:206.264200687408
CID:1648839
PubChem ID:2900470
Update Time:2025-04-21
6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Chemical and Physical Properties
Names and Identifiers
-
- 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
- Ambcb6507221
- AC1MEAQE
- HMS1688M03
- 3,4,5,6-tetrahydro-6-phenyl-2-thioxopyrimidine-4(1H)-one
- MLS001205282
- 4-Phenyl-dihydro-thiouracil
- NSC44134
- 6-Phenyl-2-thioxo-tetrahydro-pyrimidin-4-on
- (+-)-4-Phenyl-2-thio-dihydro-uracil
- 2-Mercapto-6-phenyl-5,6-dihydro-3H-pyrimidin-4-one
- 6-phenyl-2-thioxo-tetrahydro-pyrimidin-4-one
- Ambcb6507221; AC1MEAQE; HMS1688M03; 3,4,5,6-tetrahydro-6-phenyl-2-thioxopyrimidine-4(1H)-one; MLS001205282; 4-Phenyl-dihydro-thiouracil; NSC44134; 6-Phenyl-2-thioxo-tetrahydro-pyrimidin-4-on; (+-)-4-Phenyl-2-thio-dihydro-uracil; 2-Mercapto-6-phenyl-5,6-dihydro-3H-pyrimidin-4-one; 6-phenyl-2-thioxo-tetrahydro-pyrimidin-4-one;
- NSC-44134
- DTXSID40387665
- 2-mercapto-6-phenyl-5,6-dihydro-4(3H)-pyrimidinone
- CHEMBL3183164
- AKOS000713304
- SMR000517959
- SCHEMBL11191557
- 6300-96-5
-
- Inchi： 1S/C10H10N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
- InChI Key： JIBRFUJNQRGYJA-UHFFFAOYSA-N
- SMILES： S=C1NC(CC(C2C=CC=CC=2)N1)=O
Computed Properties
- Exact Mass: 206.0515
- Monoisotopic Mass: 206.05138412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 41.13
- LogP: 1.77970
6-phenyl-2-sulfanylidene-1,3-diazinan-4-one Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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