5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C14H11ClN2O4S

SMILES: CN1C(=S)N(C)C(=O)C(=CC2=CC3=C(OCO3)C=C2Cl)C1=O

IUPAC: 5-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C14H11ClN2O4S/c1-16-12(18)8(13(19)17(2)14(16)22)3-7-4-10-11(5-9(7)15)21-6-20-10/h3-5H,6H2,1-2H3

Composition: C (49.64%), H (3.27%), Cl (10.46%), N (8.27%), O (18.89%), S (9.46%)

Molar Mass: 338.76

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	338.0128057
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KCPGIZRVXSOSHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.48
Topological Polar Surface Area	59.08
Polarizability	32.52
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00