4-chloro-5-ethyl-6-methylthieno[2,3-d]pyrimidine

4-chloro-5-ethyl-6-methylthieno[2,3-d]pyrimidine

CAS: 439692-90-7

Formula: C9H9ClN2S

SMILES: CCC1=C(C)SC2=NC=NC(Cl)=C12

IUPAC: 4-chloro-5-ethyl-6-methylthieno[2,3-d]pyrimidine

InChI: InChI=1S/C9H9ClN2S/c1-3-6-5(2)13-9-7(6)8(10)11-4-12-9/h4H,3H2,1-2H3

Composition: C (50.82%), H (4.27%), Cl (16.67%), N (13.17%), S (15.07%)

Molar Mass: 212.7

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.0174972
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SDTNZUUFPBXYEW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.58
Topological Polar Surface Area	25.78
Polarizability	21.38
Ring Count	2
Rotatable Bond Count	1

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