2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid

CAS: 76721-89-6

Molecular Formula	`C12H15NO3S`
Molecular Weight	253.32 g/mol
LogP	1.3
Topological Polar Surface Area	67.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	253.07727
Heavy Atoms	17
Complexity	264.0

Chemical Identifiers

CAS Number	76721-89-6
SMILES	`C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O`
InChIKey	`LJJKNPQAGWVLDQ-UHFFFAOYSA-N`

📖 Product Overview

2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid (CAS: 76721-89-6) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.32 g/mol. Its IUPAC systematic name is 2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid. LogP 1.3 Topological Polar Surface Area 67.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 6 Exact Mass 253.07727 Heavy Atoms 17 Complexity 264.0 InChI Key: LJJKNPQAGWVLDQ-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O.

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