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4-[(4-aminophenyl)sulfanyl]-6-chloropyrimidin-2-amine

4-[(4-aminophenyl)sulfanyl]-6-chloropyrimidin-2-amine

CAS: 339016-19-2

Formula: C10H9ClN4S

SMILES: NC1=CC=C(SC2=CC(Cl)=NC(N)=N2)C=C1

IUPAC: 4-[(4-aminophenyl)sulfanyl]-6-chloropyrimidin-2-amine

InChI: InChI=1S/C10H9ClN4S/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,12H2,(H2,13,14,15)

Composition: C (47.53%), H (3.59%), Cl (14.03%), N (22.17%), S (12.69%)

Molar Mass: 252.72

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.0236452
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey INUDTCMIDSRIBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.93
Topological Polar Surface Area 77.82
Polarizability 25.41
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 339016-19-2 $51.35-$86.31$51.35$63.37$86.31
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