CC(C)N1CCN(CC1)C2=CC=C(C=C2)N=C=S
名称: 1-(4-isothiocyanatophenyl)-4-propan-2-ylpiperazine
SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)N=C=S

Molecular Processing

Molecular formula
C14H19N3S
Molecular weight
261.39
Exact mass
261.13
XLogP
2.95
TPSA
18.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.5
Molar refractivity
80.05

Supplementary Information

InChIKey: FHTOUNQIGWWFCG-UHFFFAOYSA-N
同義語
SCHEMBL5741722FHTOUNQIGWWFCG-UHFFFAOYSA-N1-(4-isothiocyanatophenyl)-4-(1-methylethyl)piperazine
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