1-[(2-chlorophenyl)methyl]-3-(prop-2-en-1-yl)-1-(pyridin-3-ylmethyl)thiourea

1-[(2-chlorophenyl)methyl]-3-(prop-2-en-1-yl)-1-(pyridin-3-ylmethyl)thiourea

Formula: C17H18ClN3S

SMILES: ClC1=CC=CC=C1CN(CC1=CC=CN=C1)C(=S)NCC=C

IUPAC: 1-[(2-chlorophenyl)methyl]-3-(prop-2-en-1-yl)-1-[(pyridin-3-yl)methyl]thiourea

InChI: InChI=1S/C17H18ClN3S/c1-2-9-20-17(22)21(12-14-6-5-10-19-11-14)13-15-7-3-4-8-16(15)18/h2-8,10-11H,1,9,12-13H2,(H,20,22)

Composition: C (61.53%), H (5.47%), Cl (10.68%), N (12.66%), S (9.66%)

Molar Mass: 331.86

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.0909965
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IAYWGSFOWPQHRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.86
Topological Polar Surface Area	28.16
Polarizability	37.41
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18ClN3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00