1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C9H8N2O3S

SMILES: O=C1CC(=O)N(CC2=CC=CO2)C(=S)N1

IUPAC: 1-[(furan-2-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C9H8N2O3S/c12-7-4-8(13)11(9(15)10-7)5-6-2-1-3-14-6/h1-3H,4-5H2,(H,10,12,15)

Composition: C (48.21%), H (3.60%), N (12.49%), O (21.40%), S (14.30%)

Molar Mass: 224.23

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.0255633
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IBTFXINCHABEJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.87
Topological Polar Surface Area	62.55
Polarizability	21.59
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H8N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00