Thioacetic acid S-2-(2-aminopropionamido)ethyl ester trifluoroacetate

[1-(2-acetylsulfanylethylamino)-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate

CAS: 97314-16-4

Molecular Formula	`C9H15F3N2O4S`
Molecular Weight	304.29 g/mol
Topological Polar Surface Area	139.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	304.07047
Heavy Atoms	19
Complexity	251.0

Chemical Identifiers

CAS Number	97314-16-4
SMILES	`CC(C(=O)NCCSC(=O)C)[NH3+].C(=O)(C(F)(F)F)[O-]`
InChIKey	`IPTMVQLGEBQCLR-UHFFFAOYSA-N`

📖 Product Overview

Thioacetic acid S-2-(2-aminopropionamido)ethyl ester trifluoroacetate (CAS: 97314-16-4) is a chemical compound with molecular formula C9H15F3N2O4S and molecular weight 304.29 g/mol. Its IUPAC systematic name is [1-(2-acetylsulfanylethylamino)-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate. Topological Polar Surface Area 139.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 304.07047 Heavy Atoms 19 Complexity 251.0 InChI Key: IPTMVQLGEBQCLR-UHFFFAOYSA-N. SMILES: CC(C(=O)NCCSC(=O)C)[NH3+].C(=O)(C(F)(F)F)[O-].

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