CAS: 2719-32-6
الاسم: 4-isothiocyanatobenzonitrile
SMILES:
C1=CC(=CC=C1C#N)N=C=SMolecular Processing
Molecular formula
C8H4N2S
Molecular weight
160.2
Exact mass
160.0095
XLogP
2.29
TPSA
36.15
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.84
Supplementary Information
InChIKey: DZFKAXLNKZXNHD-UHFFFAOYSA-N
مرادفات
4-Cyanophenyl isothiocyanate4-IsothiocyanatobenzonitrileBenzonitrile, 4-isothiocyanato-4-IsothiocyanatobenzenenitrileEINECS 220-323-2BRN 2802621DTXSID30626093-14-00-01135 (Beilstein Handbook Reference)RefChem:118522DTXCID7037634220-323-2DZFKAXLNKZXNHD-UHFFFAOYSA-NInChI=1/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-42719-32-64-cyanophenylisothiocyanatep-Cyanophenyl isothiocyanateMFCD00041085Benzenenitrile, 4-isothiocyanato-ISOTHIOCYANIC ACID, p-CYANOPHENYL ESTER4-Cyanophenyl isothiocyanate, 98%4-isothiocyanatobenzenecarbonitrile4-isothiocyanato-benzonitrile4cyanophenyl isothiocyanateK6GTB9PD9USCHEMBL7867394-Isothiocyanatobenzonitrile #CK2523GEO-03414SBB087450AKOS000212142
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