COC1=CC=CC=C1SC2=CC=CC=C2C(=O)O
CAS: 57275-17-9
Name: 2-(2-methoxyphenyl)sulfanylbenzoic acid
SMILES: COC1=CC=CC=C1SC2=CC=CC=C2C(=O)O

Molecular Processing

Molecular formula
C14H12O3S
Molecular weight
260.31
Exact mass
260.0507
XLogP
3.54
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
70.52

Supplementary Information

InChIKey: SIIYVMBKPLKCIL-UHFFFAOYSA-N
Synonyme
57275-17-92-[(2-Methoxyphenyl)sulfanyl]benzoic acidSCHEMBL2112486DTXSID60574636SIIYVMBKPLKCIL-UHFFFAOYSA-N2-(2-methoxyphenylthio)benzoic acid2-(o-Methoxyphenylthio)benzoic acid2-(o-Methoxyphenylthio) benzoic acidAKOS0060610382-(2-methoxyphenylsulfanyl)benzoic acid2-(2-methoxyphenylsulfanyl)-benzoic acid
Quelle anzeigen →
An 12 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→