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4-chloro-2-(phenylsulfanyl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(phenylsulfanyl)-1,3-thiazole-5-carbaldehyde

CAS: 199851-23-5

Formula: C10H6ClNOS2

SMILES: ClC1=C(SC(SC2=CC=CC=C2)=N1)C=O

IUPAC: 4-chloro-2-(phenylsulfanyl)-1,3-thiazole-5-carbaldehyde

InChI: InChI=1S/C10H6ClNOS2/c11-9-8(6-13)15-10(12-9)14-7-4-2-1-3-5-7/h1-6H

Composition: C (46.97%), H (2.36%), Cl (13.86%), N (5.48%), O (6.26%), S (25.07%)

Molar Mass: 255.73

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.9579339
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QKWGWIWWVPGQOS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.66
Topological Polar Surface Area 29.96
Polarizability 24.67
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 199851-23-5 $51.35-$86.31$51.35$63.37$86.31
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