ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate

ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate

Formula: C17H15NO2S2

SMILES: CCOC(=O)C1=CC=C(CSC2=NC3=CC=CC=C3S2)C=C1

IUPAC: ethyl 4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]benzoate

InChI: InChI=1S/C17H15NO2S2/c1-2-20-16(19)13-9-7-12(8-10-13)11-21-17-18-14-5-3-4-6-15(14)22-17/h3-10H,2,11H2,1H3

Composition: C (61.98%), H (4.59%), N (4.25%), O (9.71%), S (19.46%)

Molar Mass: 329.43

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	329.054421075
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QMORCBZMSNMMBU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.8
Topological Polar Surface Area	39.19
Polarizability	36.39
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H15NO2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00