Chemical Properties of 2(1H)-Pyrimidinethione, 4-amino- (CAS 333-49-3)

InChI

InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChI Key

DCPSTSVLRXOYGS-UHFFFAOYSA-N

Formula

C4H5N3S

SMILES

N=c1ccnc(S)[nH]1

Molecular Weight¹

127.17

CAS

333-49-3

Other Names

• Cytosine, thio-
• Cytosine, 2-thio-
• Thiocytosine
• 2(1H)-Pyrimidinone, 4-aminothio-
• 2-Thiocytosine
• 4-Amino-2-mercaptopyrimidine
• 4-aminopyrimidine-2-thiol

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 2(1H)-Pyrimidinethione, 4-amino-.

Sources

• Cheméo Relay (1.0)
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• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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