CN1CCN(CC1)C2=CC=C(C=C2)N=C=S
CAS: 23861-85-0
Name: 1-(4-isothiocyanatophenyl)-4-methylpiperazine
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)N=C=S

Molecular Processing

Molecular formula
C12H15N3S
Molecular weight
233.34
Exact mass
233.0987
XLogP
2.17
TPSA
18.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.84

Supplementary Information

InChIKey: DXXKATNBNNUIAW-UHFFFAOYSA-N
Synonyme
1-(4-ISOTHIOCYANATOPHENYL)-4-METHYLPIPERAZINE23861-85-0SCHEMBL517105DXXKATNBNNUIAW-UHFFFAOYSA-NDB-328587p-(4-methylpiperazino)phenyl isothiocyanate4-(4-Methylpiperazino)-phenyl isothiocyanate1-(4-isothiocyanato-phenyl)-4-methylpiperazineG506601-(4-isothiocyanato-phenyl)-4-methyl-piperazineEN300-12004872
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