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CAS Number: 90905-31-0
2-(methylthio)pyrimidine-5-carbaldehyde

Structure

2-(methylthio)pyrimidine-5-carbaldehyde
Name: 2-(methylthio)pyrimidine-5-carbaldehyde
Synonyms:
General Information
Product Number: 90905310
CAS Registry Number: 90905-31-0
Name:
        5-​Pyrimidinecarboxalde​hyde, 2-​(methylthio)​-
        2-​(Methylthio)​pyrimidine-​5-​carboxaldehyde; 2-​Methylsulfanylpyrimi​dine-​5-​carboxaldehyde 
 
Chemical Formula: C6H6N2OS
Exact Mass: 154.02
Molecular Weight: 154.19
m/z: 154.02 (100.0%), 155.02 (8.1%), 156.02 (4.8%)
Elemental Analysis: C, 46.74; H, 3.92; N, 18.17; O, 10.38; S, 20.80
 
InChI: InChI=1S/C6H6N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3
InChIKey: OERITKQWELOJBM-UHFFFAOYSA-N
Canonical SMILES : CSC1=NC=C(C=N1)C=O
 
Thermal Properties Value Condition Note
Melting Point 83-84 °C Solv: cyclohexane (110-82-7) (3)IC
Melting Point 83-84 °C Solv: cyclohexane (110-82-7) (1)IC

Specification

98%

References
  1. (1) Takagi, K.; Bulletin de la Societe Chimique de France 1990, (Sept.-Oct.), P660-6 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Takagi, Kaname; Heterocycles 1990, V31(6), P1105-9 CAPLUS
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