(S)-(+)-3-Methyl-2-butyl isothiocyanate

Base Information

• Chemical Name: (S)-(+)-3-Methyl-2-butyl isothiocyanate
• CAS No.: 745783-99-7
• Molecular Formula: C6H11NS
• Molecular Weight: 129.22
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90426977
• Mol file: 745783-99-7.mol

Synonyms:(S)-(+)-3-Methyl-2-butyl isothiocyanate;745783-99-7;(2S)-2-ISOTHIOCYANATO-3-METHYLBUTANE;SCHEMBL945811;DTXSID90426977;AKOS025295705;BP-12883

Chemical Property of (S)-(+)-3-Methyl-2-butyl isothiocyanate

Chemical Property:

• PSA: 44.45000
• Density: 0.924
• LogP: 2.13370
• Sensitive.: Moisture Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.06122053
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-(+)-3-METHYL-2-BUTYL ISOTHIOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10-20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)N=C=S
• Isomeric SMILES: C[C@@H](C(C)C)N=C=S