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(2E)-2-[(4-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid

(2E)-2-[(4-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid

Formula: C12H11ClN2O3S

SMILES: CN1C(=O)CC(SC1=NC1=CC=C(Cl)C=C1)C(O)=O

IUPAC: (2E)-2-[(4-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid

InChI: InChI=1/C12H11ClN2O3S/c1-15-10(16)6-9(11(17)18)19-12(15)14-8-4-2-7(13)3-5-8/h2-5,9H,6H2,1H3,(H,17,18)/b14-12+

Composition: C (48.25%), H (3.71%), Cl (11.87%), N (9.38%), O (16.07%), S (10.73%)

Molar Mass: 298.74

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 298.0178911
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YVBHERMNHADQEU-WYMLVPIENA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.52
Topological Polar Surface Area 69.97
Polarizability 28.14
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H11ClN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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