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4-chloro-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbonitrile

CAS: 866155-97-7

Formula: C9H6ClN3S2

SMILES: ClC1=C(SC(NCC2=CC=CS2)=N1)C#N

IUPAC: 4-chloro-2-{[(thiophen-2-yl)methyl]amino}-1,3-thiazole-5-carbonitrile

InChI: InChI=1S/C9H6ClN3S2/c10-8-7(4-11)15-9(13-8)12-5-6-2-1-3-14-6/h1-3H,5H2,(H,12,13)

Composition: C (42.27%), H (2.36%), Cl (13.86%), N (16.43%), S (25.07%)

Molar Mass: 255.74

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.9691673
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NHDRLZUKFIJVNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.81
Topological Polar Surface Area 48.71
Polarizability 23.25
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866155-97-7 $51.35-$86.31$51.35$63.37$86.31
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