sodium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide

sodium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide

CAS: 95510-70-6

Formula: C17H18N3NaO3S

SMILES: [Na+].CO[C-]1C=CC2=NC(=NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C

IUPAC: sodium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-5H-1,3-benzodiazol-5-ide

InChI: InChI=1/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1

Composition: C (55.58%), H (4.94%), N (11.44%), Na (6.26%), O (13.06%), S (8.73%)

Molar Mass: 367.4

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	367.09665691
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	RYXPMWYHEBGTRV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.25
Topological Polar Surface Area	74.2
Polarizability	37.09
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	95510-70-6		$59.16-$1,057.74$59.16$84.66$134.64$243.78$1,057.74