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2-chloro-4-(methylsulfanyl)pyrimidine

2-chloro-4-(methylsulfanyl)pyrimidine

CAS: 49844-93-1

Formula: C5H5ClN2S

SMILES: CSC1=NC(Cl)=NC=C1

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

InChI: InChI=1S/C5H5ClN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3

Composition: C (37.39%), H (3.14%), Cl (22.07%), N (17.44%), S (19.96%)

Molar Mass: 160.62

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 159.986197
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VAATWVRXPRDPPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.29
Topological Polar Surface Area 25.78
Polarizability 15.47
Ring Count 1
Rotatable Bond Count 1

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95% 1 Day 49844-93-1 $259.20$259.20
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