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Basic Information
CAS No.: 15060-26-1
Name: N-ACETYL-S-(2-HYDROXYETHYL)-L-CYSTEINE
Molecular Structure:
Molecular Structure of 15060-26-1 (N-ACETYL-S-(2-HYDROXYETHYL)-L-CYSTEINE)
Formula: C7H13NO4S
Molecular Weight: 207.251
Synonyms: S-(2-Hydroxyethyl)-N-acetylcysteine;
EINECS: 212-782-2
Density: 1.324 g/cm3
Boiling Point: 528 °C at 760 mmHg
Flash Point: 273.1 °C
PSA: 111.93000
LogP: -0.30790
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Specification

The L-Cysteine,N-acetyl-S-(2-hydroxyethyl)-, also known as N-Acetyl-S-(2-hydroxyethyl)-L-cysteine, is an organic compound with the formula C7H13NO4S. It belongs to the product categories of Pharmacetical; Various Metabolites and Impurities; Metabolites; Sulfur & Selenium Compounds. Its EINECS registry number is 212-782-2. With the CAS registry number 15060-26-1, its IUPAC name is (2R)-2-acetamido-3-(2-hydroxyethylsulfanyl)propanoic acid. This chemical is light brown oil which can be used as a metabolite of halopropanes.

Physical properties of L-Cysteine,N-acetyl-S-(2-hydroxyethyl)-: (1)ACD/LogP: -1.02; (2)ACD/LogD (pH 5.5): -3.55; (3)ACD/LogD (pH 7.4): -4.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 49.15 cm3; (13)Molar Volume: 156.4 cm3; (14)Surface Tension: 57.1 dyne/cm; (15)Density: 1.324 g/cm3; (16)Flash Point: 273.1 °C; (17)Enthalpy of Vaporization: 92.35 kJ/mol; (18)Boiling Point: 528 °C at 760 mmHg; (19)Vapour Pressure: 2.36E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CSCCO)C(=O)O
(2)Isomeric SMILES: CC(=O)N[C@@H](CSCCO)C(=O)O
(3)InChI: InChI=1S/C7H13NO4S/c1-5(10)8-6(7(11)12)4-13-3-2-9/h6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1
(4)InChIKey: NAYOYSKSFGMFOB-LURJTMIESA-N