CAS No.: 4420-74-0 — (3-Mercaptopropyl)trimethoxysilane ((3-巯基丙基)三甲氧基硅烷)

1. Primary Information

English name:	(3-Mercaptopropyl)trimethoxysilane
CAS No.:	4420-74-0
Molecular formula:	C₆H₁₆O₃SSI
Molecular weight:	196.34 g/mol
SMILES:	CO[Si](CCCS)(OC)OC
Structural class:
Other identifiers:	(3-mercaptopropyl)trimethoxylsilane (3-mercaptopropyl)trimethoxysilane 3-mercaptopropyltrimethoxysilane 3-MPTMS gamma-mercapto propyl trimethoxysilane

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	95%	32	2-8℃	in stock	-
Kehua Intelligence	100g	95%	108	2-8℃	in stock	-
Kehua Intelligence	500g	95%	496	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 26 0 0 0 0 0 0 0999 V2000 -4.0419 0.7209 0.8249 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 0.0090 -0.0847 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8589 0.2955 1.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 1.3066 -1.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -1.3740 -0.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -0.2309 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9477 -0.5035 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -0.7265 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 0.5079 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5619 2.6015 -0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 -2.6066 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 0.6695 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9176 -1.0600 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6548 -1.3995 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 0.3211 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 -1.5769 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0342 -0.9662 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4191 1.3963 0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.3692 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 0.6740 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 3.3061 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 2.9220 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 2.6374 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 -2.9323 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -2.5415 0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -3.3642 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 0.1770 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-trimethoxysilylpropane-1-thiol

4.2 InChI

InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3

4.3 InChIKey

UUEWCQRISZBELL-UHFFFAOYSA-N

4.4 Canonical SMILES

CO[Si](CCCS)(OC)OC

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)