CAS No.13239-97-9,2-THIOCYTIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13239-97-9
Name:	2-THIOCYTIDINE
Article Data:	13

Formula:	C₉H₁₃N₃O₄S
Molecular Weight:	259.286
Synonyms:	2(1H)-Pyrimidinethione,4-amino-1-b-D-ribofuranosyl- (8CI);2-Thiocytidine;
EINECS:	236-214-8
Density:	1.85 g/cm³
Melting Point:	208-209 °C
Boiling Point:	540.5 °C at 760 mmHg
Flash Point:	280.7 °C
PSA:	145.85000
LogP:	-0.61250

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Specification

The Cytidine, 2-thio-, with CAS registry number 13239-97-9, has the systematic name of 4-amino-1-pentofuranosylpyrimidine-2(1H)-thione. Besides this, it is also called 2-Thiocytidine. And the chemical formula of this chemical is C₉H₁₃N₃O₄S. What's more, its EINECS is 236-214-8.

Physical properties of Cytidine, 2-thio-: (1)ACD/LogP: -1.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.33; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.49; (8)ACD/KOC (pH 7.4): 4.49; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87.85 Å²; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 59.11 cm³; (15)Molar Volume: 139.8 cm³; (16)Polarizability: 23.43×10^-24cm³; (17)Surface Tension: 80 dyne/cm; (18)Density: 1.85 g/cm³; (19)Flash Point: 280.7 °C; (20)Enthalpy of Vaporization: 94.08 kJ/mol; (21)Boiling Point: 540.5 °C at 760 mmHg; (22)Vapour Pressure: 6.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C(/N)\C=C/N1C2OC(C(O)C2O)CO
(2)InChI: InChI=1/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)
(3)InChIKey: RHFUOMFWUGWKKO-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)
(5)Std. InChIKey: RHFUOMFWUGWKKO-UHFFFAOYSA-N