CAS
94291-62-0 Purity
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94291-62-0 Purity
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![N-(5,11-Dihydro-5-methyl-10H-benzo[b,f]azepin-10-ylidene)methylammonium hydrogen oxalate](https://resource.alfa-chemistry.com/structure/94291-63-1.gif)
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3-[Tris-(octyloxy)silyl]propanethiol
CAS
94291-66-4
Catalog Number
ACM94291664
Category
Other Products
Molecular Weight
490.898120 [g/mol]
Molecular Formula
C27H58O3SSi
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Specification
Synonyms
EINECS 304-892-5, 3-(Tris(octyloxy)silyl)propanethiol, CID3024279, 94291-66-4
IUPAC Name
3-trioctoxysilylpropane-1-thiol
Canonical SMILES
CCCCCCCCO[Si](CCCS)(OCCCCCCCC)OCCCCCCCC
InChI Key
WEPFXPXOMFVBDZ-UHFFFAOYSA-N
Boiling Point
512.5ºC at 760mmHg
Flash Point
263.7ºC
Density
0.903g/cm³
EC Number
304-892-5
Exact Mass
490.38800
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-[Tris-(octyloxy)silyl]propanethiol?
The molecular formula is C27H58O3SSi.
What is the molecular weight of 3-[Tris-(octyloxy)silyl]propanethiol?
The molecular weight is 490.9 g/mol.
What is the IUPAC name of 3-[Tris-(octyloxy)silyl]propanethiol?
The IUPAC name is 3-trioctoxysilylpropane-1-thiol.
What is the InChI of 3-[Tris-(octyloxy)silyl]propanethiol?
The InChI is InChI=1S/C27H58O3SSi/c1-4-7-10-13-16-19-23-28-32(27-22-26-31,29-24-20-17-14-11-8-5-2)30-25-21-18-15-12-9-6-3/h31H,4-27H2,1-3H3.
What is the InChIKey of 3-[Tris-(octyloxy)silyl]propanethiol?
The InChIKey is WEPFXPXOMFVBDZ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-[Tris-(octyloxy)silyl]propanethiol?
The canonical SMILES is CCCCCCCCO[Si](CCCS)(OCCCCCCCC)OCCCCCCCC.
How many hydrogen bond donor counts does 3-[Tris-(octyloxy)silyl]propanethiol have?
It has 1 hydrogen bond donor count.
How many rotatable bond counts does 3-[Tris-(octyloxy)silyl]propanethiol have?
It has 27 rotatable bond counts.
What is the topological polar surface area of 3-[Tris-(octyloxy)silyl]propanethiol?
The topological polar surface area is 28.7 Å2.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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