Basic Information | Post buying leads | Suppliers |
Name |
Oxodihydrothiochrome |
EINECS | N/A |
CAS No. | 99352-94-0 | Density | 1.5 g/cm3 |
PSA | 103.65000 | LogP | 1.37290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14N4O2S | Boiling Point | 564.2 °C at 760 mmHg |
Molecular Weight | 278.32876 | Flash Point | 295 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
oxodihydrothiochrome |
The CAS register number of Oxodihydrothiochrome is 99352-94-0. The molecular formula about this chemical is C12H14N4O2S and the molecular weight is 278.32876.
Physical properties about Oxodihydrothiochrome are: (1)ACD/LogP: -1.00; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 83.86 Å2; (6)Index of Refraction: 1.705; (7)Molar Refractivity: 71.92 cm3; (8)Molar Volume: 185 cm3; (9)Polarizability: 28.51x10-24cm3; (10)Surface Tension: 83.8 dyne/cm; (11)Density: 1.5 g/cm3; (12)Flash Point: 295 °C; (13)Enthalpy of Vaporization: 89.19 kJ/mol; (14)Boiling Point: 564.2 °C at 760 mmHg; (15)Vapour Pressure: 1.44E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cnc(nc1NC3S\C(=C(/N23)C)CCO)C
(2)InChI: InChI=1/C12H14N4O2S/c1-6-9(3-4-17)19-12-15-10-8(11(18)16(6)12)5-13-7(2)14-10/h5,12,17H,3-4H2,1-2H3,(H,13,14,15)
(3)InChIKey: SFFBMQWMODQHNO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H14N4O2S/c1-6-9(3-4-17)19-12-15-10-8(11(18)16(6)12)5-13-7(2)14-10/h5,12,17H,3-4H2,1-2H3,(H,13,14,15)
(5)Std. InChIKey: SFFBMQWMODQHNO-UHFFFAOYSA-N