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2(3H)-Thiazolethione,5-amino-

  • Name 2(3H)-Thiazolethione,5-amino-
  • EINECSN/A
  • CAS No. 6294-51-5
  • Density1.58 g/cm3
  • PSA102.14000
  • LogP1.96910
  • SolubilityN/A
  • Melting Point220-230 °C
  • FormulaC3H4N2S2
  • Boiling Point238.9 °C at 760 mmHg
  • Molecular Weight132.21
  • Flash Point98.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6294-51-5 (5-AMino-thiazole-2-thiol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

2(3H)-Thiazolethione,5-amino- 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

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