CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
CAS: 36635-61-7
Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

Molecular Processing

Molecular formula
C9H9NO2S
Molecular weight
195.24
Exact mass
195.0354
XLogP
1.65
TPSA
38.5
H-bond donors
0
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.83

Supplementary Information

InChIKey: CFOAUYCPAUGDFF-UHFFFAOYSA-N
Synonyme
Tosylmethyl isocyanide36635-61-7TosMICp-Toluenesulfonylmethyl isocyanide4-Toluenesulfonylmethyl isocyanide(p-Tolylsulfonyl)methyl isocyanideTMIC isocyanideC35FD6OLH8p-toluenesulphonylmethyl isocyanideNSC-631633DTXSID90190101RefChem:190488DTXCID60112592253-140-11-((Isocyanomethyl)sulfonyl)-4-methylbenzene1-(isocyanomethylsulfonyl)-4-methylbenzene4-Toluenesulphonylmethyl IsocyanideTosylmethylisocyanide1-isocyanomethanesulfonyl-4-methylbenzeneMFCD00000005Benzene, 1-[(isocyanomethyl)sulfonyl]-4-methyl-4-ToluenesulfonylmethylisocyanideToluene-4-sulfonylmethyl isocyanide62796-16-11-ISOCYANOMETHANESULFONYL-4-METHYL-BENZENE1-(isocyanomethane)sulfonyl-4-methylbenzene1-(isocyanomethylsulfonyl)-4-methyl-benzenep-toluenesulfonylmethylisonitrilep-Toluenesulfonylmethylisocyanide1-[(isocyanomethyl)sulfonyl]-4-methylbenzene
Quelle anzeigen →
An 761 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→