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

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

Formula: C14H12N4O2S

SMILES: COC1=CC=C(C=C1O)C1C(C#N)=C(N)SC(N)=C1C#N

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

InChI: InChI=1S/C14H12N4O2S/c1-20-11-3-2-7(4-10(11)19)12-8(5-15)13(17)21-14(18)9(12)6-16/h2-4,12,19H,17-18H2,1H3

Composition: C (55.99%), H (4.03%), N (18.66%), O (10.65%), S (10.67%)

Molar Mass: 300.34

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.068096816
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	XHSZTPGRRVGKIK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.43
Topological Polar Surface Area	129.08
Polarizability	30.2
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H12N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00