CAS 22325-27-5|4,6-Dimethyl-2-mercaptopyrimidine|4,6-Dimethyl-2-mercaptopyrimidine|2-Mercapto-4,6-dimethyl-pyrimidine|4,6-dimethyl-2-thiopyrimidine|二甲基二巯基嘧啶|4,6-Dimethyl-2-pyrimidinethiol|4,...

General Information

Structure

Molecular Formula

C₆H₈N₂S

Molecular Mass

140.20612

Exact Mass

140.04081927

Charge

InChI

InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)

InChIKey

RAFAYWADRVMWFA-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(C)nc(n1)S

Isomeric Smiles

c1(nc(cc(n1)C)C)S

Calculated Properties

JChem

Acid pKa

9.3455

H Acceptors

H Donor

LogD (pH = 5.5)

1.0841872

LogD (pH = 7.4)

1.0797547

Log P

1.084469

Molar Refractivity

39.8611

Polarizability

15.136961

Polar Surface Area

25.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,6-Dimethyl-2-mercaptopyrimidine4,6-Dimethyl-2-mercaptopyrimidine2-Mercapto-4,6-dimethyl-pyrimidine二甲基二巯基嘧啶4,6-Dimethyl-2-pyrimidinethiol4,6-二甲基-2-巯基嘧啶2-巯基-4,6-二甲基嘧啶4,6-Dimethylpyrimidine-2-thiol2-Mercapto-4,6-dimethylpyrimidine hydrate2-巯基-4,6-二甲基嘧啶水合物4,6-Dimethylpyrimidine-2-thiol

IUPAC Traditional name

4,6-dimethyl-2-thiopyrimidine

IUPAC name

4,6-dimethylpyrimidine-2-thiol

Names and Identifiers

Registration numbers

MDL Number

MFCD00006079MFCD00035317

CAS Number

22325-27-5

EC Number

244-911-3