2-{[(3-bromophenyl)methyl]sulfanyl}-4,6-dimethylpyrimidine

2-{[(3-bromophenyl)methyl]sulfanyl}-4,6-dimethylpyrimidine

Formula: C13H13BrN2S

SMILES: CC1=CC(C)=NC(SCC2=CC(Br)=CC=C2)=N1

IUPAC: 2-{[(3-bromophenyl)methyl]sulfanyl}-4,6-dimethylpyrimidine

InChI: InChI=1S/C13H13BrN2S/c1-9-6-10(2)16-13(15-9)17-8-11-4-3-5-12(14)7-11/h3-7H,8H2,1-2H3

Composition: C (50.49%), H (4.24%), Br (25.84%), N (9.06%), S (10.37%)

Molar Mass: 309.23

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.998283
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NYOFGYURPNNFKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.89
Topological Polar Surface Area	25.78
Polarizability	29.29
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13BrN2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00