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| CAS No.: | 6294-51-5 |
|---|---|
| Name: | 5-AMino-thiazole-2-thiol |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C3H4N2S2 |
| Molecular Weight: | 132.21 |
| Synonyms: | 2-Thiazolethiol,5-amino- (8CI);5-Amino-2-mercaptothiazole;NSC 9442; |
| Density: | 1.58 g/cm3 |
| Melting Point: | 220-230 °C |
| Boiling Point: | 238.9 °C at 760 mmHg |
| Flash Point: | 98.3 °C |
| PSA: | 102.14000 |
| LogP: | 1.96910 |
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- Total:12 Page 1 of 1 1
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Specification
The CAS register number of 2(3H)-Thiazolethione,5-amino- is 6294-51-5. It also can be called as 5-Amino-2-mercaptothiazole and the IUPAC name about this chemical is 5-amino-3H-1,3-thiazole-2-thione. The molecular formula about this chemical is C3H4N2S2 and the molecular weight is 132.19816.
Physical properties about 2(3H)-Thiazolethione,5-amino- are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.2; (7)ACD/KOC (pH 7.4): 29.7; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.87 Å2; (12)Index of Refraction: 1.807; (13)Molar Refractivity: 35.97 cm3; (14)Molar Volume: 83.5 cm3; (15)Polarizability: 14.26x10-24cm3; (16)Surface Tension: 95.6 dyne/cm; (17)Density: 1.58 g/cm3; (18)Flash Point: 98.3 °C; (19)Enthalpy of Vaporization: 47.58 kJ/mol; (20)Boiling Point: 238.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0413 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S/C(N)=C\N1
(2)InChI: InChI=1/C3H4N2S2/c4-2-1-5-3(6)7-2/h1H,4H2,(H,5,6)
(3)InChIKey: RYFCSYHXNOKHCK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H4N2S2/c4-2-1-5-3(6)7-2/h1H,4H2,(H,5,6)
(5)Std. InChIKey: RYFCSYHXNOKHCK-UHFFFAOYSA-N