(S)-(+)-2-Hexyl isothiocyanate

Base Information

• Chemical Name: (S)-(+)-2-Hexyl isothiocyanate
• CAS No.: 737000-96-3
• Molecular Formula: C7H13NS
• Molecular Weight: 143.25
• DSSTox Substance ID: DTXSID20426869
• Mol file: 737000-96-3.mol

Synonyms:(S)-(+)-2-HEXYL ISOTHIOCYANATE;737000-96-3;(2S)-2-ISOTHIOCYANATOHEXANE;DTXSID20426869;MFCD05664054;AKOS025295678;BP-10956

Chemical Property of (S)-(+)-2-Hexyl isothiocyanate

Chemical Property:

• Sensitive.: Moisture Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 143.07687059
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-2-Hexylisothiocyanate ^*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: CCCCC(C)N=C=S
• Isomeric SMILES: CCCC[C@H](C)N=C=S