CAS No.: 357913-53-2 — 3-(Methylsulfonyl)propyl methanesulfonate (3-(Methylsulfonyl)propyl methanesulfonate )

1. Primary Information

English name:	3-(Methylsulfonyl)propyl methanesulfonate
CAS No.:	357913-53-2
Molecular formula:	C₅H₁₂O₅S₂
Molecular weight:	216.3 g/mol
SMILES:	CS(=O)(=O)CCCOS(=O)(=O)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	456	RT	in stock	-
Kehua Intelligence	1g	98%	1440	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 23 0 0 0 0 0 0 0999 V2000 -3.3189 -0.1677 -0.0057 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 0.1316 -0.0012 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7819 -0.4229 0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4504 -0.8315 -1.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 -0.9253 1.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 0.7896 1.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 0.7619 -1.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 0.7132 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -0.2356 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.5178 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 1.1247 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 -1.4558 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7758 1.3600 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7797 1.3388 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 -0.9011 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -0.8990 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 1.1603 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 1.1416 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 1.7646 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 0.6602 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 1.6957 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 -1.9897 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 -2.0095 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1913 -1.2957 0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 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 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-methylsulfonylpropyl methanesulfonate

4.2 InChI

InChI=1S/C5H12O5S2/c1-11(6,7)5-3-4-10-12(2,8)9/h3-5H2,1-2H3

4.3 InChIKey

BZQGPGKJLOOSFU-UHFFFAOYSA-N

4.4 Canonical SMILES

CS(=O)(=O)CCCOS(=O)(=O)C

4.5 Isomeric SMILES

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)