CAS
92939-26-9 Purity
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92939-26-9 Purity
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1-(2-Sulfosulfanylethylamino)tridecane
CAS
929-41-9
Catalog Number
ACM929419
Category
Other Products
Molecular Weight
339.557 g/mol
Molecular Formula
C15H33NO3S2
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Specification
Synonyms
CID70240, WR 2236, BRN 2376760, LS-66126, 2-Tridecylaminoethanethiol hydrogen sulfate (ester), Thiosulfuric acid, S-(2-(tridecylamino)ethyl) ester, Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester), 929-41-9
IUPAC Name
1-(2-sulfosulfanylethylamino)tridecane
Canonical SMILES
CCCCCCCCCCCCCNCCSS(=O)(=O)O
InChI Key
MDCFFJPIOHVMNO-UHFFFAOYSA-N
Density
1.069±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
339.19000
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound referenced in PubChem CID 70240?
The molecular formula is C15H33NO3S2.
What is the molecular weight of the compound?
The molecular weight is 339.6 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-sulfosulfanylethylamino)tridecane.
What is the InChI key of the compound?
The InChI key is MDCFFJPIOHVMNO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 100?2.
How many rotatable bond counts does the compound have?
The compound has 16 rotatable bond counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound last modified in PubChem?
The compound was last modified on 2023-12-30.
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