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3-(2-amino-1,3-thiazol-4-yl)phenol hydrochloride

3-(2-amino-1,3-thiazol-4-yl)phenol hydrochloride

CAS: 1050556-38-1

Formula: C9H9ClN2OS

SMILES: Cl.NC1=NC(=CS1)C1=CC=CC(O)=C1

IUPAC: 3-(2-amino-1,3-thiazol-4-yl)phenol hydrochloride

InChI: InChI=1S/C9H8N2OS.ClH/c10-9-11-8(5-13-9)6-2-1-3-7(12)4-6;/h1-5,12H,(H2,10,11);1H

Composition: C (47.27%), H (3.97%), Cl (15.50%), N (12.25%), O (7.00%), S (14.02%)

Molar Mass: 228.69

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.0124118
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NJQDMVOVOWVSPZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.19
Topological Polar Surface Area 59.14
Polarizability 20.78
Ring Count 2
Rotatable Bond Count 1

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95% <6 Days 1050556-38-1 $195.50-$492.20$195.50$492.20
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