4,5-Dimethyl-N-2-propen-1-yl-3-thiophenecarboxamide - CAS 1789818-21-8

Catalog:	BB068591
Product Name:	4,5-Dimethyl-N-2-propen-1-yl-3-thiophenecarboxamide
CAS:	1789818-21-8
Synonyms:	Silthiofam-des(trimethylsilyl); 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide; 4,5-Dimethyl-N-(prop-2-en-1-yl)thiophene-3-carboxamide

Technical Data

IUPAC Name:	4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide
Description:	4,5-Dimethyl-N-2-propen-1-yl-3-thiophenecarboxamide is a derivative of Silthiofam (S465070(M)), which is a fungicide.
Molecular Weight:	195.28
Molecular Formula:	C10H13NOS
Canonical SMILES:	CC1=C(SC=C1C(=O)NCC=C)C
InChI:	InChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12)
InChI Key:	DGCYKBAFUIYUEX-UHFFFAOYSA-N
Melting Point:	44 - 48°C
Solubility:	Chloroform (Slightly), DMSO (Slightly)
Appearance:	White to Off-White Low-Melting Solid
Storage:	4°C
References:	Asrar, J., et al. PCT Int. Appl. (2003), WO 2003026421 A1.

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.07178521
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.07178521
Rotatable Bond Count:	3
Topological Polar Surface Area:	57.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3