methyl 2-amino-4-(3,4-dichlorophenyl)-5-methylthiophene-3-carboxylate

methyl 2-amino-4-(3,4-dichlorophenyl)-5-methylthiophene-3-carboxylate

CAS: 862653-11-0

Formula: C13H11Cl2NO2S

SMILES: COC(=O)C1=C(N)SC(C)=C1C1=CC(Cl)=C(Cl)C=C1

IUPAC: methyl 2-amino-4-(3,4-dichlorophenyl)-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C13H11Cl2NO2S/c1-6-10(7-3-4-8(14)9(15)5-7)11(12(16)19-6)13(17)18-2/h3-5H,16H2,1-2H3

Composition: C (49.38%), H (3.51%), Cl (22.42%), N (4.43%), O (10.12%), S (10.14%)

Molar Mass: 316.2

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.9887552
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MEMABRJYOIOTSU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	78.85
Topological Polar Surface Area	52.32
Polarizability	31.06
Ring Count	2
Rotatable Bond Count	3

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