4,5-dichlorothieno[2,3-d]pyrimidine

• ChemBase ID: 292244
• Molecular Formular: C6H2Cl2N2S
• Molecular Mass: 205.06448
• Monoisotopic Mass: 203.93157443
• SMILES: Clc1csc2c1c(Cl)ncn2
• Canonical SMILES: Clc1csc2c1c(Cl)ncn2
• InChI: InChI=1S/C6H2Cl2N2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
• InChIKey: DGELLYDZWYBYEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichlorothieno[2,3-d]pyrimidine
• IUPAC Traditional name: 4,5-dichlorothieno[2,3-d]pyrimidine
• Synonyms: 4,5-Dichlorothieno[2,3-d]pyrimidine

Database IDs

• CAS Number: 137240-10-9
• MDL Number: MFCD13193401
• PubChem SID: 180677775
• PubChem CID: 15745768

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7214885
• LogD (pH = 7.4): 2.7214887
• Log P: 2.721489
• Molar Refractivity: 46.6859 cm^3
• Polarizability: 18.016048 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%