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ethyl 2-(2-{[(phenylformamido)methanethioyl]amino}-1,3-thiazol-4-yl)acetate

ethyl 2-(2-{[(phenylformamido)methanethioyl]amino}-1,3-thiazol-4-yl)acetate

CAS: 446307-70-6

Formula: C15H15N3O3S2

SMILES: CCOC(=O)CC1=CSC(NC(=S)NC(=O)C2=CC=CC=C2)=N1

IUPAC: ethyl 2-(2-{[(phenylformamido)methanethioyl]amino}-1,3-thiazol-4-yl)acetate

InChI: InChI=1S/C15H15N3O3S2/c1-2-21-12(19)8-11-9-23-15(16-11)18-14(22)17-13(20)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H2,16,17,18,20,22)

Composition: C (51.56%), H (4.33%), N (12.03%), O (13.74%), S (18.35%)

Molar Mass: 349.42

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 349.055483703
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NZKFCGVVILYGBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.96
Topological Polar Surface Area 80.32
Polarizability 35.13
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 446307-70-6 $51.35-$86.31$51.35$63.37$86.31
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