(2H-1,3-benzodioxol-5-ylmethyl)(thiophen-3-ylmethyl)amine

(2H-1,3-benzodioxol-5-ylmethyl)(thiophen-3-ylmethyl)amine

Formula: C13H13NO2S

SMILES: C(NCC1=CC=C2OCOC2=C1)C1=CSC=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-3-yl)methyl]amine

InChI: InChI=1S/C13H13NO2S/c1-2-12-13(16-9-15-12)5-10(1)6-14-7-11-3-4-17-8-11/h1-5,8,14H,6-7,9H2

Composition: C (63.14%), H (5.30%), N (5.66%), O (12.94%), S (12.96%)

Molar Mass: 247.31

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.066699837
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LLIPZOIMNVPQKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.79
Topological Polar Surface Area	30.49
Polarizability	26.24
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00