methyl 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate

methyl 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate

Formula: C12H14N2O3S

SMILES: CCOC1=CC=C2NC(SCC(=O)OC)=NC2=C1

IUPAC: methyl 2-[(5-ethoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate

InChI: InChI=1S/C12H14N2O3S/c1-3-17-8-4-5-9-10(6-8)14-12(13-9)18-7-11(15)16-2/h4-6H,3,7H2,1-2H3,(H,13,14)

Composition: C (54.12%), H (5.30%), N (10.52%), O (18.02%), S (12.04%)

Molar Mass: 266.32

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.072513493
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WUKUIPVXKJHVAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.41
Topological Polar Surface Area	64.21
Polarizability	28.36
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00