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Name |
5-Phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
EINECS | N/A |
CAS No. | 42039-84-9 | Density | 1.44 g/cm3 |
PSA | 90.29000 | LogP | 0.95870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8N2O2S | Boiling Point | N/A |
Molecular Weight | 220.252 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-phenyl-2-sulfanyl-4,6-pyrimidinediol |
The CAS registry number of 5-Phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 42039-84-9. Its molecular formula is C10H8N2O2S and molecular weight is 220.2477. Its systematic name is called 5-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione.
Physical properties about this chemical are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/BCF (pH 5.5): 1.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.14; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.682; (12)Molar Refractivity: 57.85 cm3; (13)Molar Volume: 152.6 cm3; (14)Surface Tension: 72.7 dyne/cm; (15)Density: 1.44 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=S)NC(=O)C2c1ccccc1
(2)InChI: InChI=1/C10H8N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-5,7H,(H2,11,12,13,14,15)
(3)InChIKey: YSILWYBOVGFHOQ-UHFFFAOYAI