1-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutanoyl)thiourea

1-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutanoyl)thiourea

Formula: C20H21N3OS2

SMILES: CC(C)CC(=O)NC(=S)NC1=CC(=CC=C1C)C1=NC2=CC=CC=C2S1

IUPAC: 1-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutanoyl)thiourea

InChI: InChI=1S/C20H21N3OS2/c1-12(2)10-18(24)23-20(25)22-16-11-14(9-8-13(16)3)19-21-15-6-4-5-7-17(15)26-19/h4-9,11-12H,10H2,1-3H3,(H2,22,23,24,25)

Composition: C (62.63%), H (5.52%), N (10.96%), O (4.17%), S (16.72%)

Molar Mass: 383.53

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	383.112604656
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	JKERJFSOSNKKMY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.14
Topological Polar Surface Area	54.02
Polarizability	44.53
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00