3-(2H-1,3-benzodioxole-5-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-(2H-1,3-benzodioxole-5-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS: 179327-06-1

Formula: C16H15NO3S

SMILES: NC1=C(C(=O)C2=CC=C3OCOC3=C2)C2=C(CCCC2)S1

IUPAC: 3-(2H-1,3-benzodioxole-5-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

InChI: InChI=1S/C16H15NO3S/c17-16-14(10-3-1-2-4-13(10)21-16)15(18)9-5-6-11-12(7-9)20-8-19-11/h5-7H,1-4,8,17H2

Composition: C (63.77%), H (5.02%), N (4.65%), O (15.93%), S (10.64%)

Molar Mass: 301.36

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.077264521
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	SBHZYFJRHHNQHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.79
Topological Polar Surface Area	61.55
Polarizability	30.74
Ring Count	4
Rotatable Bond Count	2

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95%	<7 Days	179327-06-1		$322.40$322.40