(S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate

Base Information

• Chemical Name: (S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate
• CAS No.: 737000-81-6
• Molecular Formula: C9H8ClNS
• Molecular Weight: 197.68500
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30426815
• Mol file: 737000-81-6.mol

Synonyms:(S)-(+)-1-(4-CHLOROPHENYL)ETHYL ISOTHIOCYANATE;737000-81-6;1-chloro-4-[(1S)-1-isothiocyanatoethyl]benzene;DTXSID30426815;AKOS025295671;BP-10934

Chemical Property of (S)-(+)-1-(4-Chlorophenyl)ethyl isothiocyanate

Chemical Property:

• Refractive Index: 1.5950
• PSA: 44.45000
• Density: 1,208 g/cm3
• LogP: 3.50380
• Sensitive.: Moisture Sensitive
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.0065981
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-1-(4-Chlorophenyl)ethylisothiocyanate ^*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: CC(C1=CC=C(C=C1)Cl)N=C=S
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)Cl)N=C=S