5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride

• ChemBase ID: 92412
• Molecular Formular: C6H7ClN2O2S
• Molecular Mass: 206.64998
• Monoisotopic Mass: 205.99167615
• SMILES: n12c(cnc1CCC2)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1cnc2n1CCC2
• InChI: InChI=1S/C6H7ClN2O2S/c7-12(10,11)6-4-8-5-2-1-3-9(5)6/h4H,1-3H2
• InChIKey: INKHDZOCLLUBLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
• IUPAC Traditional name: 5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride
• Synonyms: 5H,6H,7H-pyrrolo[1,2-a]imidazole-3-sulfonyl chloride; 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulphonyl chloride 95%

Database IDs

• MDL Number: MFCD08235266
• PubChem SID: 162079110
• PubChem CID: 44119806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.45289573
• LogD (pH = 7.4): 0.4639702
• Log P: 0.4641136
• Molar Refractivity: 44.693 cm^3
• Polarizability: 17.995699 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.701

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon

Product Information

• Purity: 95%