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4-amino-2-(ethylsulfanyl)pyrimidine-5-carboxylic acid

4-amino-2-(ethylsulfanyl)pyrimidine-5-carboxylic acid

CAS: 89853-87-2

Formula: C7H9N3O2S

SMILES: CCSC1=NC=C(C(O)=O)C(N)=N1

IUPAC: 4-amino-2-(ethylsulfanyl)pyrimidine-5-carboxylic acid

InChI: InChI=1S/C7H9N3O2S/c1-2-13-7-9-3-4(6(11)12)5(8)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)

Composition: C (42.20%), H (4.55%), N (21.09%), O (16.06%), S (16.09%)

Molar Mass: 199.23

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 199.041547716
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey TYAKXNHFMATCHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.5
Topological Polar Surface Area 89.1
Polarizability 18.85
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
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