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4-ethyl-N-(3-methylphenyl)piperazine-1-carbothioamide

4-ethyl-N-(3-methylphenyl)piperazine-1-carbothioamide

Formula: C14H21N3S

SMILES: CCN1CCN(CC1)C(=S)NC1=CC=CC(C)=C1

IUPAC: 4-ethyl-N-(3-methylphenyl)piperazine-1-carbothioamide

InChI: InChI=1S/C14H21N3S/c1-3-16-7-9-17(10-8-16)14(18)15-13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,15,18)

Composition: C (63.84%), H (8.04%), N (15.95%), S (12.17%)

Molar Mass: 263.4

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 263.145618862
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HGVMILYUDRQCQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.22
Topological Polar Surface Area 18.51
Polarizability 31.52
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H21N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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