3-Mercaptopropyltriethoxysilane CAS NO.14814-09-6

1. Introduction of3-Mercaptopropyltriethoxysilane

The 3-Mercaptopropyltriethoxysilane, with its C…

1. Introduction of 3-Mercaptopropyltriethoxysilane

 

The 3-Mercaptopropyltriethoxysilane, with its CAS NO 14814-09-6, is a kind of Colorless Transparent Liquid. It has synonyms of Triethoxy(3-mercaptopropyl)silane;VP-Si 263;(3-Mercaptopropyl)triethoxysilane;3-(Triethoxysilyl)propyl mercaptan;A 1891;Dynasylan 3201;HD 113;KH 580 and Silquest A 1891. 3-Mercaptopropyltriethoxysilane should be stored in shady and cool warehouse.
 

2. Properties of 3-Mercaptopropyltriethoxysilane

 

(1) H-Bond Donor 1 (2) H-Bond Acceptor 4 (3) Rotatable Bond Count 9
(4) Exact Mass 238.105892  (5) MonoIsotopic Mass 238.105892  (6) Topological Polar Surface Area 28.7
(7) Heavy Atom Count 14  (8) Complexity 118  (9) Covalently-Bonded Unit Count 1
(10) Effective Rotor Count 9  (11) Conformer Sampling RMSD 0.8 (12) CID Conformer Count 106
 

3. Structure descriptors of 3-Mercaptopropyltriethoxysilane

 

IUPAC Name: 3-triethoxysilylpropane-1-thiol

InChI: InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3

InChIKey: DCQBZYNUSLHVJC-UHFFFAOYSA-N

Canonical SMILES : CCO[Si](CCCS)(OCC)OCC
 

 

4. Toxicity data of 3-Mercaptopropyltriethoxysilane

 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	3gm/kg (3000mg/kg)	Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 229, Pg. 1011, 1976