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2-(methylsulfanyl)-6-phenylpyrimidine-4-carboxylic acid

2-(methylsulfanyl)-6-phenylpyrimidine-4-carboxylic acid

CAS: 915963-25-6

Formula: C12H10N2O2S

SMILES: CSC1=NC(=CC(=N1)C(O)=O)C1=CC=CC=C1

IUPAC: 2-(methylsulfanyl)-6-phenylpyrimidine-4-carboxylic acid

InChI: InChI=1S/C12H10N2O2S/c1-17-12-13-9(7-10(14-12)11(15)16)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)

Composition: C (58.52%), H (4.09%), N (11.37%), O (12.99%), S (13.02%)

Molar Mass: 246.28

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.046298744
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FJEWCKMACVHCCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.08
Topological Polar Surface Area 63.08
Polarizability 26.74
Ring Count 2
Rotatable Bond Count 3

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OTAVA LTD.
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Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 915963-25-6 $234.60-$410.55$234.60$308.89$410.55
MFCD11920767
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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 915963-25-6 $428.26-$657.69$428.26$428.26$524.40$524.40$657.69$657.69
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