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3,6-diethyl 2,5-dichlorothieno[3,2-b]thiophene-3,6-dicarboxylate

3,6-diethyl 2,5-dichlorothieno[3,2-b]thiophene-3,6-dicarboxylate

CAS: 1268375-33-2

Formula: C12H10Cl2O4S2

SMILES: CCOC(=O)C1=C(Cl)SC2=C1SC(Cl)=C2C(=O)OCC

IUPAC: 3,6-diethyl 2,5-dichlorothieno[3,2-b]thiophene-3,6-dicarboxylate

InChI: InChI=1S/C12H10Cl2O4S2/c1-3-17-11(15)5-7-8(20-9(5)13)6(10(14)19-7)12(16)18-4-2/h3-4H2,1-2H3

Composition: C (40.80%), H (2.85%), Cl (20.07%), O (18.12%), S (18.15%)

Molar Mass: 353.23

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 351.9397566
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FWYGRZLAGNRAIJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.77
Topological Polar Surface Area 52.6
Polarizability 31.84
Ring Count 2
Rotatable Bond Count 6

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