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4-methyl-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide

4-methyl-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide

CAS: 138712-75-1

Formula: C11H13N3O2S

SMILES: CNC(=O)NC(=S)NC(=O)C1=CC=C(C)C=C1

IUPAC: 4-methyl-N-{[(methylcarbamoyl)amino]methanethioyl}benzamide

InChI: InChI=1S/C11H13N3O2S/c1-7-3-5-8(6-4-7)9(15)13-11(17)14-10(16)12-2/h3-6H,1-2H3,(H3,12,13,14,15,16,17)

Composition: C (52.57%), H (5.21%), N (16.72%), O (12.73%), S (12.76%)

Molar Mass: 251.3

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.072847845
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey PUGVXCRHGFKHFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.55
Topological Polar Surface Area 70.23
Polarizability 26.26
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 138712-75-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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