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1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanamine

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanamine

CAS: 775579-08-3

Formula: C10H9ClN2S

SMILES: NCC1=CSC(=N1)C1=CC=CC(Cl)=C1

IUPAC: 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanamine

InChI: InChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)10-13-9(5-12)6-14-10/h1-4,6H,5,12H2

Composition: C (53.45%), H (4.04%), Cl (15.78%), N (12.47%), S (14.27%)

Molar Mass: 224.71

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 224.0174972
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YTIMHDSIFDCEDJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.12
Topological Polar Surface Area 38.91
Polarizability 23.61
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 775579-08-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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