CCCOC1=C(C=C(C=C1SC)CC#N)OC
الاسم: 2-(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)acetonitrile
SMILES: CCCOC1=C(C=C(C=C1SC)CC#N)OC

Molecular Processing

Molecular formula
C13H17NO2S
Molecular weight
251.35
Exact mass
251.098
XLogP
3.27
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
17
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
0.462
Molar refractivity
69.88

Supplementary Information

InChIKey: POHFPAYUBAVXIX-UHFFFAOYSA-N
مرادفات
SCHEMBL9719016POHFPAYUBAVXIX-UHFFFAOYSA-N3-methoxy-5-methylthio-4-propoxyphenyl acetonitrile
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