2-methyl-2-{[methyl(pyridin-4-yl)carbamothioyl]sulfanyl}propanenitrile

2-methyl-2-{[methyl(pyridin-4-yl)carbamothioyl]sulfanyl}propanenitrile

Formula: C11H13N3S2

SMILES: CN(C(=S)SC(C)(C)C#N)C1=CC=NC=C1

IUPAC: 2-methyl-2-{[methyl(pyridin-4-yl)carbamothioyl]sulfanyl}propanenitrile

InChI: InChI=1S/C11H13N3S2/c1-11(2,8-12)16-10(15)14(3)9-4-6-13-7-5-9/h4-7H,1-3H3

Composition: C (52.56%), H (5.21%), N (16.72%), S (25.51%)

Molar Mass: 251.37

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.055089779
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PYVIBYAVTHICFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.21
Topological Polar Surface Area	39.92
Polarizability	27.99
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H13N3S2		Quote Only