5-[(2-bromophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(2-bromophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C13H11BrN2O2S

SMILES: CN1C(=O)C(=CC2=CC=CC=C2Br)C(=O)N(C)C1=S

IUPAC: 5-[(2-bromophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C13H11BrN2O2S/c1-15-11(17)9(12(18)16(2)13(15)19)7-8-5-3-4-6-10(8)14/h3-7H,1-2H3

Composition: C (46.03%), H (3.27%), Br (23.56%), N (8.26%), O (9.43%), S (9.45%)

Molar Mass: 339.21

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	337.972462
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HVPBOBVCXPNGKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.53
Topological Polar Surface Area	40.62
Polarizability	30.89
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00