2-chloro-4-nitro-N-{2-[(thiophen-3-ylmethyl)amino]ethyl}aniline

2-chloro-4-nitro-N-{2-[(thiophen-3-ylmethyl)amino]ethyl}aniline

Formula: C13H14ClN3O2S

SMILES: [O-][N+](=O)C1=CC=C(NCCNCC2=CSC=C2)C(Cl)=C1

IUPAC: 2-chloro-4-nitro-N-(2-{[(thiophen-3-yl)methyl]amino}ethyl)aniline

InChI: InChI=1S/C13H14ClN3O2S/c14-12-7-11(17(18)19)1-2-13(12)16-5-4-15-8-10-3-6-20-9-10/h1-3,6-7,9,15-16H,4-5,8H2

Composition: C (50.08%), H (4.53%), Cl (11.37%), N (13.48%), O (10.26%), S (10.28%)

Molar Mass: 311.78

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	311.0495256
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IETUVLVZEZDIKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.82
Topological Polar Surface Area	67.2
Polarizability	30.55
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H14ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00