4-(4-bromophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

4-(4-bromophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

Formula: C15H9BrN2S

SMILES: BrC1=CC=C(C=C1)C1=CN2C(SC3=CC=CC=C23)=N1

IUPAC: 4-(4-bromophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

InChI: InChI=1S/C15H9BrN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H

Composition: C (54.73%), H (2.76%), Br (24.27%), N (8.51%), S (9.74%)

Molar Mass: 329.22

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	327.966982
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KEPQCZGPWRNPCZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.01
Topological Polar Surface Area	17.3
Polarizability	33.08
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H9BrN2S		Quote Only