3-ethynyl-N-(thiophen-2-ylmethyl)aniline

3-ethynyl-N-(thiophen-2-ylmethyl)aniline

CAS: 1019586-19-6

Formula: C13H11NS

SMILES: C#CC1=CC=CC(NCC2=CC=CS2)=C1

IUPAC: 3-ethynyl-N-[(thiophen-2-yl)methyl]aniline

InChI: InChI=1S/C13H11NS/c1-2-11-5-3-6-12(9-11)14-10-13-7-4-8-15-13/h1,3-9,14H,10H2

Composition: C (73.20%), H (5.20%), N (6.57%), S (15.03%)

Molar Mass: 213.3

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	213.061220532
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ODIYJJXDOWTSEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.93
Topological Polar Surface Area	12.03
Polarizability	24.14
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1019586-19-6		$74.40-$177.80$74.40$177.80