2-isothiocyanato-2,3-dihydro-1H-indene

Base Information

• Chemical Name: 2-isothiocyanato-2,3-dihydro-1H-indene
• CAS No.: 306935-87-5
• Molecular Formula: C10H9NS
• Molecular Weight: 175.25016
• Hs Code.: 2930909899
• DSSTox Substance ID: DTXSID80371487
• Mol file: 306935-87-5.mol

Synonyms:2-isothiocyanato-2,3-dihydro-1H-indene;306935-87-5;Indane-2-isothiocyanate;3-OXALURICACID;SCHEMBL6154489;DTXSID80371487;MFCD01313225

Chemical Property of 2-isothiocyanato-2,3-dihydro-1H-indene

Chemical Property:

• Boiling Point: 306.3 °C at 760 mmHg
• Flash Point: 144.1 °C
• PSA: 44.45000
• Density: 1.16 g/cm³
• LogP: 2.25660
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Indane-2-isothiocyanate 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC2=CC=CC=C21)N=C=S