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25390-17-4

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Basic Information
CAS No.: 25390-17-4
Name: S-(carboxymethyl)-DL-cysteine
Molecular Structure:
Molecular Structure of 25390-17-4 (S-(carboxymethyl)-DL-cysteine)
Formula: C5H9NO4S
Molecular Weight: 179.197
Synonyms: Alanine,3-[(carboxymethyl)thio]-, DL- (8CI);DL-Cysteine, S-(carboxymethyl)-;5-Amino-3-thiadihexanoic acid;DL-3-(Carboxymethylthio)alanine;NSC 68427;S-(Carboxymethyl)-(RS)-cysteine;S-(Carboxymethyl)-DL-cysteine;S-(Carboxymethyl)cysteine;
EINECS: 246-934-4
Density: 1.514 g/cm3
Melting Point: 175-176 °C
Boiling Point: 417.3 °C at 760 mmHg
Flash Point: 206.2 °C
PSA: 125.92000
LogP: -0.08360
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Specification

The Cysteine,S-(carboxymethyl)- is an organic compound with the formula C5H9NO4S. The IUPAC name of this chemical is 2-amino-3-(carboxymethylsulfanyl)propanoic acid. With the CAS registry number 25390-17-4, it is also named as 5-Amino-3-thiadihexanoic acid.

Physical properties about Cysteine,S-(carboxymethyl)- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -3.12; (3)ACD/LogD (pH 7.4): -3.21; (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: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 81.14 Å2; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 39.83 cm3; (14)Molar Volume: 118.3 cm3; (15)Polarizability: 15.79×10-24cm3; (16)Surface Tension: 78 dyne/cm; (17)Density: 1.514 g/cm3; (18)Flash Point: 206.2 °C; (19)Enthalpy of Vaporization: 73.57 kJ/mol; (20)Boiling Point: 417.3 °C at 760 mmHg; (21)Vapour Pressure: 3.91E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CSCC(=O)O
(2)InChI: InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
(3)InChIKey: GBFLZEXEOZUWRN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
(5)Std. InChIKey: GBFLZEXEOZUWRN-UHFFFAOYSA-N