COC(=O)C1=CSC=C1N
CAS: 69363-85-5
Name: methyl 4-aminothiophene-3-carboxylate
SMILES: COC(=O)C1=CSC=C1N

Molecular Processing

Molecular formula
C6H7NO2S
Molecular weight
157.19
Exact mass
157.0197
XLogP
1.12
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
40.07

Supplementary Information

InChIKey: BUFZZXCVOFBHLS-UHFFFAOYSA-N
Synonyme
methyl 4-aminothiophene-3-carboxylate69363-85-5DTXSID70380588RefChem:355581DTXCID50331614805-953-3MFCD00130102methyl4-aminothiophene-3-carboxylatemethyl 4-amino-3-thiophenecarboxylate3-Thiophenecarboxylic acid, 4-amino-, methyl estermethyl 4-amino-3-thenoateMaybridge1_003880Maybridge1_0039244-aminothiophene-3-carboxylic acid methyl esterSCHEMBL166467HMS552K08BUFZZXCVOFBHLS-UHFFFAOYSA-NFr16681methyl 4-aminothiophen-3-carboxylateSBB053870methyl 3-amino-4-thiophenecarboxylateAKOS005067072methyl 4-amino-3-thiophene carboxylatePS-4350SB67092DB-030989methyl-4-AMINOTHIOPHENE-3-CARBOXYLATECS-0150758ST50949726EN300-144234
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