COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
CAS: 100063-22-7
Name: methyl 3-amino-5-phenylthiophene-2-carboxylate
SMILES: COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N

Molecular Processing

Molecular formula
C12H11NO2S
Molecular weight
233.29
Exact mass
233.051
XLogP
2.78
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
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
0.083
Molar refractivity
65.51

Supplementary Information

InChIKey: QESSCNMSOLRYBO-UHFFFAOYSA-N
Synonyme
methyl 3-amino-5-phenylthiophene-2-carboxylate100063-22-7DTXSID70351450RefChem:354856DTXCID00302516640-912-12-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl esterMFCD00068161CHEMBL207663methyl 3-amino-5-(4-phenyl)thiophene-2-carboxylateF2146-00373-amino-5-phenyl-thiophene-2-carboxylic acid methyl esterMaybridge1_003977methyl 3-amino-5-phenyl-thiophene-2-carboxylateSCHEMBL431794HMS552M17SMSSF-0017291BDBM50186643methyl 3-amino-5-phenyl-2-thenoateSBB005525STL083744AKOS000280583CCG-141719CS-W012927FS-1462AC-15465SY018616methyl-3-amino-5-phenylthiophene-carboxylateST50407197EN300-384296
Quelle anzeigen →
An 63 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→