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| CAS No.: | 13239-97-9 |
|---|---|
| Name: | 2-THIOCYTIDINE |
| Article Data: | 13 |
| Cas Database | |
| Molecular Structure: | |
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| 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 |
- 13240-18-1Glycine,N-(2,5-xylylsulfonyl)- (7CI,8CI)
- 1324-05-6Benzo[a]phenazinium,5-hydroxy-7-phenylsulfo-, inner salt, sodium salt (9CI)
- 1324-11-4Vat Orange 1
- 13241-28-6Chrysophanol 8-O-beta-D-glucoside
- 13241-33-34H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-,(2S)-
- 132414-50-7Pyrrolo[3,4-b]pyrrole,octahydro-1-(phenylmethyl)-
- 132414-78-9Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-1-(phenylmethyl)-, ethyl ester
- 132414-80-3Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-1-(phenylmethyl)-, 1,1-dimethylethyl ester
- 132414-81-4Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester
- 1324-17-0Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione,bromo-
- Total:18 Page 1 of 1 1
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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