CAS: 13205-48-6
이름: 4-methylsulfanylbenzoic acid
SMILES:
CSc1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C8H8O2S
Molecular weight
168.22
Exact mass
168.0245
XLogP
2.11
TPSA
37.3
H-bond donors
1
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
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.18
Supplementary Information
InChIKey: KWHCPERWLHBLOT-UHFFFAOYSA-N
동의어
4-(Methylthio)benzoic acid13205-48-6Q4SWG87DXNNSC-400301DTXSID80157324RefChem:975104-MTBDTXCID8079815236-171-5Benzoic acid, 4-(methylthio)-4-methylsulfanylbenzoic acid4-(Methylsulfanyl)benzoic acidp-(Methylthio)benzoic acidMFCD00002555562836-64-0Benzoic acid, p-(methylthio)-4-(methylthio) benzoic acid4-(METHYLTHIO)BENZOICACIDEINECS 236-171-5NSC4003014-(methylthio)-benzoic acidSCHEMBL27422CHEMBL998164-(Methylmercapto)benzoic acidpara-(Methylthio)-benzoic acidorb3029780SCHEMBL7410527SCHEMBL163431144-(Methylsulfanyl)benzoic acid #HMS1730C04
28개 반응에 참여→