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3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-(morpholin-4-yl)aniline

3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-(morpholin-4-yl)aniline

Formula: C16H19ClN2OS

SMILES: CC1=CC=C(CNC2=CC=C(N3CCOCC3)C(Cl)=C2)S1

IUPAC: 3-chloro-N-[(5-methylthiophen-2-yl)methyl]-4-(morpholin-4-yl)aniline

InChI: InChI=1S/C16H19ClN2OS/c1-12-2-4-14(21-12)11-18-13-3-5-16(15(17)10-13)19-6-8-20-9-7-19/h2-5,10,18H,6-9,11H2,1H3

Composition: C (59.52%), H (5.93%), Cl (10.98%), N (8.68%), O (4.96%), S (9.93%)

Molar Mass: 322.85

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.0906621
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BORYSYVEHHRTIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.12
Topological Polar Surface Area 24.5
Polarizability 33.66
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H19ClN2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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