4-({8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-yl}amino)phenol

4-({8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-yl}amino)phenol

Formula: C16H15N3OS

SMILES: OC1=CC=C(NC2=C3C4=C(CCCC4)SC3=NC=N2)C=C1

IUPAC: 4-({8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-yl}amino)phenol

InChI: InChI=1S/C16H15N3OS/c20-11-7-5-10(6-8-11)19-15-14-12-3-1-2-4-13(12)21-16(14)18-9-17-15/h5-9,20H,1-4H2,(H,17,18,19)

Composition: C (64.62%), H (5.08%), N (14.13%), O (5.38%), S (10.78%)

Molar Mass: 297.38

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.093583289
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BTIBWAOCLJARHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.22
Topological Polar Surface Area	58.04
Polarizability	31.86
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H15N3OS		Quote Only