1-(2H-1,3-benzodioxol-5-yl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(1,3-thiazol-2-yl)propan-1-one

Formula: C13H11NO3S

SMILES: O=C(CCC1=NC=CS1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-(1,3-thiazol-2-yl)propan-1-one

InChI: InChI=1S/C13H11NO3S/c15-10(2-4-13-14-5-6-18-13)9-1-3-11-12(7-9)17-8-16-11/h1,3,5-7H,2,4,8H2

Composition: C (59.76%), H (4.24%), N (5.36%), O (18.37%), S (12.27%)

Molar Mass: 261.3

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.045964392
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OMDJRSRTRSUAPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.18
Topological Polar Surface Area	48.42
Polarizability	25.78
Ring Count	3
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C13H11NO3S		$1,301.00-$2,420.00$1,301.00$1,901.00$2,420.00