CAS: 590-42-1
الاسم: 2-isothiocyanato-2-methylpropane
SMILES:
CC(C)(C)N=C=SMolecular Processing
Molecular formula
C5H9NS
Molecular weight
115.2
Exact mass
115.0456
XLogP
1.89
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
34.78
Supplementary Information
InChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-N
مرادفات
tert-Butyl isothiocyanate590-42-1Propane, 2-isothiocyanato-2-methyl-RefChem:894671209-682-62-Isothiocyanato-2-methylpropanet-Butyl isothiocyanate2-isothiocyanato-2-methyl-propaneMFCD00004816tert.-Butyl Isothiocyanate1,1-Dimethylethyl isothiocyanate; tert-Butyl isothiocyanatetert-butylisothiocyanateEINECS 209-682-6tert butyl isothiocyanatetert-butyliso thiocyanatebutyl isothiocyanate, tert-T-BUTYLISOTHIOCYANATEtertiary butyl isothiocyanateSCHEMBL3306012-methylpropan-2-isothiocyanateCHEMBL1908216DTXSID9060441SCHEMBL17163000tert-Butyl isothiocyanate, 99%2-Isothiocyanato-2-methylpropane #Isothiocyanic acid, tert-butyl esterSBB066555AKOS000101196AS-16156BP-12928
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