5-Phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione supplier

Name
5-phenyl-2-sulfanyl-4,6-pyrimidinediol
EINECS
CAS No. 42039-84-9
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₂S
Boiling Point
Molecular Weight 220.252
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-phenyl-2-sulfanyl-4,6-pyrimidinediol
PSA 90.29000
LogP 0.95870

5-Phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Specification

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

Product Name

5-phenyl-2-sulfanyl-4,6-pyrimidinediol

5-Phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Specification

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