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

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

CAS: 852400-09-0

Formula: C14H15NO2S

SMILES: OC(=O)C1CCCCC1C1=NC2=CC=CC=C2S1

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

InChI: InChI=1/C14H15NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h3-4,7-10H,1-2,5-6H2,(H,16,17)

Composition: C (64.34%), H (5.79%), N (5.36%), O (12.24%), S (12.27%)

Molar Mass: 261.34

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 261.082349901
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UYUNBKRWYMGAKX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.01
Topological Polar Surface Area 50.19
Polarizability 28.29
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 852400-09-0 $311.22-$479.14$311.22$479.14
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