(1R,2R)-1-iodo-2-isothiocyanatocycloheptane

Base Information

• Chemical Name: (1R,2R)-1-iodo-2-isothiocyanatocycloheptane
• CAS No.: 88142-01-2
• Molecular Formula: C8H12INS
• DSSTox Substance ID: DTXSID50516782

Synonyms:(1R,2R)-1-iodo-2-isothiocyanatocycloheptane;88142-01-2;DTXSID50516782

Chemical Property of (1R,2R)-1-iodo-2-isothiocyanatocycloheptane

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 280.97352
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(CC1)I)N=C=S
• Isomeric SMILES: C1CC[C@H]([C@@H](CC1)I)N=C=S

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