3-(3,4-dimethylbenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

3-(3,4-dimethylbenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

Formula: C20H23N3OS

SMILES: CC1=CC=C(C=C1C)C(=O)NC(=S)NC1=CC=C(C=C1)N1CCCC1

IUPAC: 3-(3,4-dimethylbenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

InChI: InChI=1S/C20H23N3OS/c1-14-5-6-16(13-15(14)2)19(24)22-20(25)21-17-7-9-18(10-8-17)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H2,21,22,24,25)

Composition: C (67.96%), H (6.56%), N (11.89%), O (4.53%), S (9.07%)

Molar Mass: 353.48

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	353.156183547
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PHIZYNCUJJLXCV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.88
Topological Polar Surface Area	44.37
Polarizability	40.49
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00