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1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperazine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperazine

CAS: 341967-70-2

Formula: C9H14ClN3S

SMILES: CN1CCN(CC2=CN=C(Cl)S2)CC1

IUPAC: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperazine

InChI: InChI=1S/C9H14ClN3S/c1-12-2-4-13(5-3-12)7-8-6-11-9(10)14-8/h6H,2-5,7H2,1H3

Composition: C (46.65%), H (6.09%), Cl (15.30%), N (18.13%), S (13.83%)

Molar Mass: 231.74

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.0596963
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CQXQBPFZYUZAKD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.67
Topological Polar Surface Area 19.37
Polarizability 23.49
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 341967-70-2 $51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70
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