(1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate

Base Information

• Chemical Name: (1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate
• CAS No.: 737000-90-7
• Molecular Formula: C13H15NOS
• Molecular Weight: 233.33
• European Community (EC) Number: 679-440-6
• DSSTox Substance ID: DTXSID30474513
• Mol file: 737000-90-7.mol

Synonyms:(1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate;737000-90-7;[(1R,2R)-2-isothiocyanatocyclopentyl]oxymethylbenzene;ST50408257;DTXSID30474513

Chemical Property of (1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate

Chemical Property:

• Refractive Index: 1.5700
• PSA: 53.68000
• Density: 1,116 g/cm3
• LogP: 3.22710
• Sensitive.: Moisture Sensitive
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.08743528
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

(1R,2R)-(-)-2-BENZYLOXYCYCLOPENTYL ISOTHIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(C1)OCC2=CC=CC=C2)N=C=S
• Isomeric SMILES: C1C[C@H]([C@@H](C1)OCC2=CC=CC=C2)N=C=S