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2-(thiophen-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid

2-(thiophen-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 124340-77-8

Formula: C12H8N2O2S

SMILES: OC(=O)C1=C2N=C(NC2=CC=C1)C1=CC=CS1

IUPAC: 2-(thiophen-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)

Composition: C (59.01%), H (3.30%), N (11.47%), O (13.10%), S (13.12%)

Molar Mass: 244.27

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 244.03064868
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OQFMKFSAZCQYAK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.22
Topological Polar Surface Area 65.98
Polarizability 25.91
Ring Count 3
Rotatable Bond Count 2

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AA BLOCKS INC
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 124340-77-8 $146.05-$3,689.20$146.05$195.50$258.75$381.80$476.10$1,043.05$1,983.75$3,689.20
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Kinentia Biosciences LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 124340-77-8 $283.50-$425.25$283.50$425.25
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