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ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

CAS: 847560-46-7

Formula: C9H8ClN3O2S

SMILES: CCOC(=O)C1=CC2=C(Cl)N=C(N)N=C2S1

IUPAC: ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate

InChI: InChI=1S/C9H8ClN3O2S/c1-2-15-8(14)5-3-4-6(10)12-9(11)13-7(4)16-5/h3H,2H2,1H3,(H2,11,12,13)

Composition: C (41.95%), H (3.13%), Cl (13.76%), N (16.31%), O (12.42%), S (12.44%)

Molar Mass: 257.69

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.0025754
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RVSQDXBPGDMBIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.09
Topological Polar Surface Area 78.1
Polarizability 23.56
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 847560-46-7 $83.84-$149.04$83.84$149.04
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 847560-46-7 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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