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5-benzoyl-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine

5-benzoyl-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine

CAS: 13807-12-0

Formula: C13H13N3OS

SMILES: NC1=C(SC(NCC=C)=N1)C(=O)C1=CC=CC=C1

IUPAC: 5-benzoyl-N2-(prop-2-en-1-yl)-1,3-thiazole-2,4-diamine

InChI: InChI=1S/C13H13N3OS/c1-2-8-15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h2-7H,1,8,14H2,(H,15,16)

Composition: C (60.21%), H (5.05%), N (16.20%), O (6.17%), S (12.36%)

Molar Mass: 259.33

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.077933225
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NJWGWVLFRYCKGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.47
Topological Polar Surface Area 68.01
Polarizability 27.31
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 13807-12-0 $51.35-$86.31$51.35$63.37$86.31
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