CAS No.13957-31-8,4-THIOURIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13957-31-8
Name:	4-THIOURIDINE
Article Data:	23

Formula:	C₉H₁₂N₂O₅S
Molecular Weight:	260.271
Synonyms:	4-Thiouridine;NSC 518132;Thiouridine;
EINECS:	237-735-3
Density:	1.72 g/cm³
Melting Point:	139-140℃ (ethanol )
Solubility:	Soluble in water (20 mg/ml), and methanol (10 mg/ml).
Appearance:	Light yellow crystalline
Safety:	24/25
PSA:	139.80000
LogP:	-1.48260

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Specification

The Uridine,4-thio-, with CAS registry number 13957-31-8, belongs to the following product categories: (1)Biochemicals and Reagents; (2)Nucleoside Analogs; (3)Nucleosides, Nucleotides, Oligonucleotides. It has the systematic name of 1-pentofuranosyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one. This chemical is a kind of light yellow crystalline. And it should be stored at the temperature of −20°C. What's more, its classification codes are Affinity labels, Antimetabolites, Indicators and Reagents and Noxae.

Physical properties of Uridine,4-thio-: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 92.56 Å²; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 60.56 cm³; (15)Molar Volume: 151.3 cm³; (16)Polarizability: 24×10^-24cm³; (17)Surface Tension: 108.7 dyne/cm; (18)Density: 1.72 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C/1NC(=O)N(\C=C\1)C2OC(C(O)C2O)CO
(2)InChI: InChI=1/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)
(3)InChIKey: ZLOIGESWDJYCTF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)
(5)Std. InChIKey: ZLOIGESWDJYCTF-UHFFFAOYSA-N