Aliphatics

Plastic Additive 18 (1545090)

PHY-NP-12126 · Natural product research catalog

Catalog number	PHY-NP-12126
CAS number	64685-81-0
Molecular formula	C₇₄H₁₄₆O₁₀S₅Sn₂
Molecular weight	1593.729 g/mol
Chemical class	Aliphatics
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

Plastic Additive 18 (1545090) is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate;2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate
SMILES	CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC.CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
InChIKey	BZBRIJHBAFKTKA-UHFFFAOYSA-I
PubChem CID	164962097

Computed properties

Exact mass (Da)	1594.7563	Predicted LogP	11.7642
Predicted TPSA (Å²)	78.9	H-bond donors	0
H-bond acceptors	9	Rotatable bonds	34

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	0
Aromatic rings	0
Fraction Csp³	0.921
Synthetic accessibility score	4.4
QED score	0.027
Lipinski rule violations	2
NPClassifier pathway	Fatty acids
Parent SMILES	CCCCCCC[CH2][Sn]([S]CC(=O)OCC(CC)CCCC)([S]CC(=O)OCC(CC)CCCC)[S]CC(=O)OCC(CC)CCCC
Parent formula	C₃₈H₇₄O₆S₃Sn
Parent molecular weight	841.916
Specified stereocenters	0
Unspecified stereocenters	4

Reported natural occurrence

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT organism records	0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.