3-{8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}-1-phenylthiourea

3-{8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}-1-phenylthiourea

Formula: C19H14N2OS

SMILES: S=C(NC1=CC=CC=C1)NC1=CC2=C(C=C1)C1=C(O2)C=CC=C1

IUPAC: 3-{8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}-1-phenylthiourea

InChI: InChI=1S/C19H14N2OS/c23-19(20-13-6-2-1-3-7-13)21-14-10-11-16-15-8-4-5-9-17(15)22-18(16)12-14/h1-12H,(H2,20,21,23)

Composition: C (71.68%), H (4.43%), N (8.80%), O (5.02%), S (10.07%)

Molar Mass: 318.39

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	318.082684253
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	QYEYWBMZRCNLOE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	99.21
Topological Polar Surface Area	37.2
Polarizability	39.54
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H14N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00