C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)S
CAS: 59621-76-0
Название: 4-(4-chlorophenoxy)benzenethiol
SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)Cl)S

Molecular Processing

Molecular formula
C12H9ClOS
Molecular weight
236.72
Exact mass
236.0063
XLogP
4.42
TPSA
9.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
65.22

Supplementary Information

InChIKey: AFXSLKKTDUYDIR-UHFFFAOYSA-N
Синонимы
4-(4-Chlorophenoxy)benzenethiolRefChem:514059633-121-859621-76-04-(4-CHLORO-PHENOXY)-BENZENETHIOLC12H9ClOSMFCD041143454-(4-chlorophenoxy)benzene-1-thiol4-(4-Chlorophenoxy)benzenethiol, 59621-76-0, 4-(4-CHLORO-PHENOXY)-BENZENETHIOL, AGN-PC-01X7JU, SureCN2408044, CTK5B0211, MolPort-016-579-564, Benzenethiol, 4-(4-chlorophenoxy)-, ZINC36532984, AKOS016009897, AB18101, AG-G-12596, AK112853, KB-2382314-(4-chlorophenoxy)thiophenolSCHEMBL2408044DTXSID20594299AFXSLKKTDUYDIR-UHFFFAOYSA-NAKOS016009897AB18101CS-0340968F736407
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