N-[2-(2-Thienyl)ethyl]formamide - CAS 28783-49-5

Name: N-[2-(2-Thienyl)ethyl]formamide
Brand: BOC Sciences
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Catalog:	BB057437
Product Name:	N-[2-(2-Thienyl)ethyl]formamide
CAS:	28783-49-5
Synonyms:	N-(2-thiophen-2-ylethyl)formamide; N-[2-(2-Thienyl)ethyl]formamide; N-(2-(thiophen-2-yl)ethyl)formamide; N-(2-(2-thienyl)ethyl)formamide

Technical Data

IUPAC Name:	N-(2-thiophen-2-ylethyl)formamide
Description:	N-[2-(2-Thienyl)ethyl]formamide is a sulfur analog of Isoquinolines. N-[2-(2-Thienyl)ethyl]formamide have been used in attempts to prepare analogs of papaverine (P190500).
Molecular Weight:	155.22
Molecular Formula:	C7H9NOS
Canonical SMILES:	C1=CSC(=C1)CCNC=O
InChI:	InChI=1S/C7H9NOS/c9-6-8-4-3-7-2-1-5-10-7/h1-2,5-6H,3-4H2,(H,8,9)
InChI Key:	HBWLGAIQNVAFGS-UHFFFAOYSA-N
Solubility:	Chloroform, DCM, Ethyl Acetate
Appearance:	Colourless Oil
Storage:	-20°C Freezer
References:	Herz, W., et al. J. Am. Chem. Soc., 77, 3529 (1955).

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.04048508
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.04048508
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3