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4-chloro-2-[(2-methoxyethyl)amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(2-methoxyethyl)amino]-1,3-thiazole-5-carbonitrile

CAS: 866156-04-9

Formula: C7H8ClN3OS

SMILES: COCCNC1=NC(Cl)=C(S1)C#N

IUPAC: 4-chloro-2-[(2-methoxyethyl)amino]-1,3-thiazole-5-carbonitrile

InChI: InChI=1S/C7H8ClN3OS/c1-12-3-2-10-7-11-6(8)5(4-9)13-7/h2-3H2,1H3,(H,10,11)

Composition: C (38.63%), H (3.70%), Cl (16.29%), N (19.30%), O (7.35%), S (14.73%)

Molar Mass: 217.67

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 217.0076608
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VSQTWYPEJDDFDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.35
Topological Polar Surface Area 57.94
Polarizability 19.42
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866156-04-9 $51.35-$86.31$51.35$63.37$86.31
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