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methyl 3-amino-6-chlorothieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-chlorothieno[3,2-b]pyridine-2-carboxylate

CAS: 208994-12-1

Formula: C9H7ClN2O2S

SMILES: COC(=O)C1=C(N)C2=NC=C(Cl)C=C2S1

IUPAC: methyl 3-amino-6-chlorothieno[3,2-b]pyridine-2-carboxylate

InChI: InChI=1S/C9H7ClN2O2S/c1-14-9(13)8-6(11)7-5(15-8)2-4(10)3-12-7/h2-3H,11H2,1H3

Composition: C (44.54%), H (2.91%), Cl (14.61%), N (11.54%), O (13.19%), S (13.21%)

Molar Mass: 242.68

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.9916763
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CJTHRTORVFJNHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.18
Topological Polar Surface Area 65.21
Polarizability 23.11
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 208994-12-1 $345.00-$1,035.00$345.00$517.50$1,035.00
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