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3-benzoyl-1-(6-methylpyridin-2-yl)thiourea

3-benzoyl-1-(6-methylpyridin-2-yl)thiourea

CAS: 96938-51-1

Formula: C14H13N3OS

SMILES: CC1=NC(NC(=S)NC(=O)C2=CC=CC=C2)=CC=C1

IUPAC: 3-benzoyl-1-(6-methylpyridin-2-yl)thiourea

InChI: InChI=1S/C14H13N3OS/c1-10-6-5-9-12(15-10)16-14(19)17-13(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,17,18,19)

Composition: C (61.97%), H (4.83%), N (15.49%), O (5.90%), S (11.82%)

Molar Mass: 271.34

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.077933225
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VWKPOGQHIDVZER-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.57
Topological Polar Surface Area 54.02
Polarizability 30.04
Ring Count 2
Rotatable Bond Count 2

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