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7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

CAS: 338415-36-4

Formula: C14H10ClN3S

SMILES: CC1=NC2=C(C#N)C(=CN2C(C)=C1)C1=C(Cl)C=CS1

IUPAC: 7-(3-chlorothiophen-2-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carbonitrile

InChI: InChI=1S/C14H10ClN3S/c1-8-5-9(2)18-7-11(10(6-16)14(18)17-8)13-12(15)3-4-19-13/h3-5,7H,1-2H3

Composition: C (58.43%), H (3.50%), Cl (12.32%), N (14.60%), S (11.14%)

Molar Mass: 287.77

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 287.0283962
Formal Charge 0
FSP3 0.14
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PWGBYEGEKXEKGB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.23
Topological Polar Surface Area 41.09
Polarizability 30.14
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338415-36-4 $51.35-$86.31$51.35$63.37$86.31
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