2,5-dichloro-3-iodothiophene

• ChemBase ID: 71311
• Molecular Formular: C4HCl2IS
• Molecular Mass: 278.92621
• Monoisotopic Mass: 277.82207439
• SMILES: s1c(c(cc1Cl)I)Cl
• Canonical SMILES: Clc1sc(c(c1)I)Cl
• InChI: InChI=1S/C4HCl2IS/c5-3-1-2(7)4(6)8-3/h1H
• InChIKey: DPXGPXPLIDOIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-3-iodothiophene
• IUPAC Traditional name: 2,5-dichloro-3-iodothiophene
• Synonyms: 2,6-Dichloro-3-iodothiophene

Database IDs

• CAS Number: 43225-59-8
• MDL Number: MFCD11844795
• PubChem SID: 162036901
• PubChem CID: 13011175

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2227135
• LogD (pH = 7.4): 4.2227135
• Log P: 4.2227135
• Molar Refractivity: 44.4557 cm^3
• Polarizability: 18.452337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT