2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

Formula: C13H9BrN4S

SMILES: NC1=C(C#N)C(C2=CC=C(Br)C=C2)C(C#N)=C(N)S1

IUPAC: 2,6-diamino-4-(4-bromophenyl)-4H-thiopyran-3,5-dicarbonitrile

InChI: InChI=1S/C13H9BrN4S/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19-13(18)10(11)6-16/h1-4,11H,17-18H2

Composition: C (46.86%), H (2.72%), Br (23.98%), N (16.81%), S (9.62%)

Molar Mass: 333.21

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.97313
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XOLJFTLRRRZRLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.61
Topological Polar Surface Area	99.62
Polarizability	29.84
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9BrN4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00