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3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylic acid

3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylic acid

CAS: 100283-52-1

Formula: C12H7N3O2S

SMILES: OC(=O)C1=C(N=CC=N1)C1=NC2=CC=CC=C2S1

IUPAC: 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylic acid

InChI: InChI=1S/C12H7N3O2S/c16-12(17)10-9(13-5-6-14-10)11-15-7-3-1-2-4-8(7)18-11/h1-6H,(H,16,17)

Composition: C (56.02%), H (2.74%), N (16.33%), O (12.44%), S (12.46%)

Molar Mass: 257.27

Atom Count: 25

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 257.025897651
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey USRGJJFGYCZTPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.43
Topological Polar Surface Area 75.97
Polarizability 26.48
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 100283-52-1 $202.14$202.14
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