Compound C16H14F3NO3S

2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid

CAS: 82964-04-3

Molecular Formula	`C16H14F3NO3S`
Molecular Weight	357.3 g/mol
LogP	3.7
Topological Polar Surface Area	81.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	357.06464
Heavy Atoms	24
Complexity	486.0

Chemical Identifiers

CAS Number	82964-04-3
SMILES	`CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC`
InChIKey	`LUBHDINQXIHVLS-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H14F3NO3S (CAS: 82964-04-3) is a chemical compound with molecular formula C16H14F3NO3S and molecular weight 357.3 g/mol. Its IUPAC systematic name is 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid. LogP 3.7 Topological Polar Surface Area 81.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 357.06464 Heavy Atoms 24 Complexity 486.0 InChI Key: LUBHDINQXIHVLS-UHFFFAOYSA-N. SMILES: CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC.

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