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7-(thiophen-2-yl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(thiophen-2-yl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

CAS: 887031-85-8

Formula: C9H7N5O2S

SMILES: OC(=O)C1=NC2=NN=NN2C(C1)C1=CC=CS1

IUPAC: 7-(thiophen-2-yl)-6H,7H-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-5-carboxylic acid

InChI: InChI=1/C9H7N5O2S/c15-8(16)5-4-6(7-2-1-3-17-7)14-9(10-5)11-12-13-14/h1-3,6H,4H2,(H,15,16)

Composition: C (43.37%), H (2.83%), N (28.10%), O (12.84%), S (12.86%)

Molar Mass: 249.25

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 249.032045659
Formal Charge 0
FSP3 0.22
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey MDXZIVNKSSCTEK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73
Topological Polar Surface Area 93.26
Polarizability 21.66
Ring Count 3
Rotatable Bond Count 2

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95% <2 Days 887031-85-8 $404.27$404.27
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