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Basic Information
CAS No.: 5627-00-9
Name: 5,6-DIHYDROTHYMIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 5627-00-9 (5,6-DIHYDROTHYMIDINE)
Formula: C10H16N2O5
Molecular Weight: 244.247
Synonyms: Hydrouracil,1-(2-deoxy-b-D-erythro-pentofuranosyl)-5-methyl-(7CI,8CI);Hydrouracil, 1-(2-deoxy-b-D-ribofuranosyl)-5-methyl- (6CI);2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-b-D-erythro-pentofuranosyl)dihydro-5-methyl-;5,6-Dihydrothymidine;Dihydrothymidine;
Density: 1.391 g/cm3
PSA: 99.10000
LogP: -1.09080
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Specification

The Thymidine, 5,6-dihydro-, with the CAS registry number 5627-00-9, is also known as 5,6-Dihydrothymidine. This chemical's molecular formula is C10H16N2O5 and molecular weight is 244.24. What's more, its systematic name is 1-methyl-3-phenyl-1H-pyrazol-5-amine. Its storage temperature is −20°C.

Physical properties of Thymidine, 5,6-dihydro- are: (1)ACD/LogP: -1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.07; (8)ACD/KOC (pH 7.4): 2.07; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.31 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 56.24 cm3; (15)Molar Volume: 175.5 cm3; (16)Polarizability: 22.29×10-24 cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.391 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1N(CC(C(=O)N1)C)[C@@H]2O[C@@H]([C@@H](O)C2)CO
(2)InChI: InChI=1/C10H16N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5-8,13-14H,2-4H2,1H3,(H,11,15,16)/t5?,6-,7+,8+/m0/s1
(3)InChIKey: FEYHMSUYKIMUAL-UNYLCCJPBX