N-[2-(5-Methoxy-2-thienyl)ethyl]formamide - CAS 854701-03-4

Catalog:	BB060026
Product Name:	N-[2-(5-Methoxy-2-thienyl)ethyl]formamide
CAS:	854701-03-4
Synonyms:	N-(2-(5-Methoxythiophen-2-yl)ethyl)formamide

Technical Data

Computed Properties

IUPAC Name:	N-[2-(5-methoxythiophen-2-yl)ethyl]formamide
Description:	N-[2-(5-Methoxy-2-thienyl)ethyl]formamide is an intermediate in the synthesis of Prasugrel (P701150, HCl) related compounds; an antiplatelet agent.
Molecular Weight:	185.24
Molecular Formula:	C8H11NO2S
Canonical SMILES:	COC1=CC=C(S1)CCNC=O
InChI:	InChI=1S/C8H11NO2S/c1-11-8-3-2-7(12-8)4-5-9-6-10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChI Key:	OXQAUDQWOFTIBW-UHFFFAOYSA-N
Solubility:	DCM, Ethyl Acetate
Appearance:	Oil
References:	Herz, W., et al. J. Am. Chem. Soc., 77, 3529 (1955).

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Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.05104977
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.05104977
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5