CC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
CAS: 135805-96-8
Название: 1-isothiocyanato-2-methyl-4-nitrobenzene
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

Molecular Processing

Molecular formula
C8H6N2O2S
Molecular weight
194.22
Exact mass
194.015
XLogP
2.64
TPSA
55.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.52

Supplementary Information

InChIKey: JEWJPETZSUMXII-UHFFFAOYSA-N
Синонимы
2-Methyl-4-nitrophenyl isothiocyanate135805-96-8DTXSID90159531RefChem:88139DTXCID0082022JEWJPETZSUMXII-UHFFFAOYSA-N1-Isothiocyanato-2-methyl-4-nitrobenzeneMFCD00060542Benzene,1-isothiocyanato-2-methyl-4-nitro-SCHEMBL7121492ALBB-0030922-methyl-4-nitrobenzenisothiocyanate2-methyl4-nitrophenyl isothiocyanate2Methyl-4-nitrophenyl isothiocyanateBBL017960STK502590AKOS0051710762-methyl-4-nitro-phenyl isothiocyanate2-methyl-4-nitrophenyl iso thiocyanateFS-4670SY3261681-isothiocyanato-2-methyl-4-nitro-benzeneDB-0213471-Isothiocyanato-2-methyl-4-nitrobenzene #ST50949224H22535F009538
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