methyl 2-acetamido-3-(2-chloroethylsulfanyl)propanoate

CAS: 78774-17-1

Molecular Formula	`C8H14ClNO3S`
Molecular Weight	239.72 g/mol
LogP	0.7
Topological Polar Surface Area	80.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	239.0383
Heavy Atoms	14
Complexity	201.0

Chemical Identifiers

CAS Number	78774-17-1
SMILES	`CC(=O)NC(CSCCCl)C(=O)OC`
InChIKey	`KJBPUKJOQNOICM-UHFFFAOYSA-N`

📖 Product Overview

methyl 2-acetamido-3-(2-chloroethylsulfanyl)propanoate (CAS: 78774-17-1) is a chemical compound with molecular formula C8H14ClNO3S and molecular weight 239.72 g/mol. Its IUPAC systematic name is methyl 2-acetamido-3-(2-chloroethylsulfanyl)propanoate. LogP 0.7 Topological Polar Surface Area 80.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 239.0383 Heavy Atoms 14 Complexity 201.0 InChI Key: KJBPUKJOQNOICM-UHFFFAOYSA-N. SMILES: CC(=O)NC(CSCCCl)C(=O)OC.

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