CAS No.16720-80-2,DL-METHIONINOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16720-80-2
Name:	DL-METHIONINOL
Article Data:	10

Formula:	C₅H₁₃NOS
Molecular Weight:	135.23
Synonyms:	(1-(Hydroxymethyl)-3-(methylthio)propyl)amine;2-Amino-4-(methylthio)-1-butanol;NSC 67800;2-amino-4-(methylthio)butan-1-ol;
EINECS:	220-788-1
Density:	1.068 g/cm³
Melting Point:	31 °C
Boiling Point:	270.2 °C at 760 mmHg
Flash Point:	117.2 °C
PSA:	71.55000
LogP:	0.75940

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Specification

This chemical is called 2-Amino-4-(methylthio)-1-butanol, and its CAS registry number is 16720-80-2. With the molecular formula of C₅H₁₃NOS, its molecular weight is 135.23.

Other characteristics of the 2-Amino-4-(methylthio)-1-butanol can be summarised as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -2.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 37.77 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 38.23 cm³; (15)Molar Volume: 126.5 cm³; (16)Polarizability: 15.15×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.068 g/cm³; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 59.03 kJ/mol; (21)Boiling Point: 270.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000913 mmHg at 25°C.

Production method of this chemical: The 2-Amino-4-(methylthio)-1-butanol could be obtained by the reactant of methionine. This reaction needs the reagents of NaBH_4,I₂, and the solvent of tetrahydrofuran. The yield is 60 %. In addition, this reaction should be taken for 15 hours. The other condition is heating.

Uses of this chemical: The 2-Amino-4-(methylthio)-1-butanol could react with isothiocyanatobenzene, and obtain the 1-(1-hydroxymethyl-3-methylsulfanyl-propyl)-3-phenyl-thiourea. The yield is 67 %.

You can still convert the following datas into molecular structure:
1.SMILES: OCC(N)CCSC
2.InChI: InChI=1/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
3.InChIKey: MIQJGZAEWQQAPN-UHFFFAOYAZ