CAS: 86047-01-0
이름: 4-ethylsulfanylbenzonitrile
SMILES:
CCSC1=CC=C(C=C1)C#NMolecular Processing
Molecular formula
C9H9NS
Molecular weight
163.24
Exact mass
163.0456
XLogP
2.67
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.56
Supplementary Information
InChIKey: DPBHJRQNISIVHM-UHFFFAOYSA-N
동의어
4-(ethylsulfanyl)benzonitrile86047-01-04-(ethylthio)benzonitrile4-ethylsulfanylbenzonitrile4-Ethylthio-benzonitrileEthyl 4-cyanophenyl sulfideSCHEMBL507156DPBHJRQNISIVHM-UHFFFAOYSA-NLDA04701MFCD11136354AKOS000220338DB-208800EN300-183390G19686Z332378580
3개 반응에 참여→