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1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine dihydrochloride

1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine dihydrochloride

CAS: 1185709-34-5

Formula: C11H14Cl2N2OS

SMILES: Cl.Cl.COC1=CC=CC(=C1)C1=NC=C(CN)S1

IUPAC: 1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine dihydrochloride

InChI: InChI=1S/C11H12N2OS.2ClH/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11;;/h2-5,7H,6,12H2,1H3;2*1H

Composition: C (45.06%), H (4.81%), Cl (24.18%), N (9.55%), O (5.46%), S (10.93%)

Molar Mass: 293.21

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.0203897
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AJMCULRISPXGSL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.09
Topological Polar Surface Area 48.14
Polarizability 24.26
Ring Count 2
Rotatable Bond Count 3

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95% <4 Days 1185709-34-5 $88.55-$354.20$88.55$354.20
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