CAS No.: 7314-32-1 — L-Methionine sulfone (L-蛋氨酸砜)

1. Primary Information

English name:	L-Methionine sulfone
CAS No.:	7314-32-1
Molecular formula:	C₅H₁₁NO₄S
Molecular weight:	181.21 g/mol
SMILES:	CS(=O)(=O)CCC(C(=O)O)N
Structural class:
Other identifiers:	methionine sulfone methionine sulfone, (+-)-isomer methionine sulfone, (S)-isomer methionine sulfone, 35S-labeled, (+-)-isomer

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	844	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 21 0 1 0 0 0 0 0999 V2000 -2.5065 0.1795 0.1589 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5567 -0.2013 1.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 1.5751 -0.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 1.6136 -0.2845 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 -0.2669 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6258 -1.7997 -0.1763 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2101 0.1910 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 -0.4845 -0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -0.3892 -0.5369 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7951 -0.7089 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7422 0.2914 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2115 0.1046 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1674 1.2674 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.5587 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -0.3314 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -0.2965 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7179 -0.5092 -1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.7748 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 -0.3553 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -1.9058 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 -2.1800 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 2.0473 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-amino-4-methylsulfonylbutanoic acid

4.2 InChI

InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

4.3 InChIKey

UCUNFLYVYCGDHP-BYPYZUCNSA-N

4.4 Canonical SMILES

CS(=O)(=O)CCC(C(=O)O)N

4.5 Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)O)N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)