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2-(chloromethyl)-4-methoxythieno[3,2-d]pyrimidine

2-(chloromethyl)-4-methoxythieno[3,2-d]pyrimidine

CAS: 1421311-90-1

Formula: C8H7ClN2OS

SMILES: COC1=C2SC=CC2=NC(CCl)=N1

IUPAC: 2-(chloromethyl)-4-methoxythieno[3,2-d]pyrimidine

InChI: InChI=1S/C8H7ClN2OS/c1-12-8-7-5(2-3-13-7)10-6(4-9)11-8/h2-3H,4H2,1H3

Composition: C (44.76%), H (3.29%), Cl (16.51%), N (13.05%), O (7.45%), S (14.93%)

Molar Mass: 214.67

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 213.9967617
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HYQNRHYEKACMKH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.84
Topological Polar Surface Area 35.01
Polarizability 20.94
Ring Count 2
Rotatable Bond Count 2

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