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4-chloro-5-methoxy-2-(methylsulfanyl)pyrimidine

4-chloro-5-methoxy-2-(methylsulfanyl)pyrimidine

CAS: 87026-45-7

Formula: C6H7ClN2OS

SMILES: COC1=CN=C(SC)N=C1Cl

IUPAC: 4-chloro-5-methoxy-2-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3

Composition: C (37.80%), H (3.70%), Cl (18.59%), N (14.69%), O (8.39%), S (16.82%)

Molar Mass: 190.65

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.9967617
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SWERHXRSRVRUFG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.76
Topological Polar Surface Area 35.01
Polarizability 17.99
Ring Count 1
Rotatable Bond Count 2

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97% <7 Days 87026-45-7 $18.63-$322.92$18.63$25.88$73.49$322.92
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97% <2 Days 87026-45-7 $51.35-$374.73$51.35$63.37$86.31$374.73
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