CAS
94247-09-3 Purity
96%
94247-09-3 Purity
96%
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Thiobis(tert-octane)
CAS
94247-13-9
Catalog Number
ACM94247139
Category
Other Products
Molecular Weight
258.506160 [g/mol]
Molecular Formula
C16H34S
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Specification
Synonyms
Thiobis(tert-octane), EINECS 304-189-3, 94247-13-9
IUPAC Name
2-methyl-2-(2-methylheptan-2-ylsulfanyl)heptane
Canonical SMILES
CCCCCC(C)(C)SC(C)(C)CCCCC
InChI Key
XPWXJHSMVFIGHY-UHFFFAOYSA-N
EC Number
304-189-3
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of Thiobis(tert-octane)?
The molecular formula of Thiobis(tert-octane) is C16H34S.
When was Thiobis(tert-octane) created?
Thiobis(tert-octane) was created on December 5, 2007.
What is the IUPAC name of Thiobis(tert-octane)?
The IUPAC name of Thiobis(tert-octane) is 2-methyl-2-(2-methylheptan-2-ylsulfanyl)heptane.
What is the molecular weight of Thiobis(tert-octane)?
The molecular weight of Thiobis(tert-octane) is 258.5 g/mol.
What is the Canonical SMILES representation of Thiobis(tert-octane)?
The Canonical SMILES representation of Thiobis(tert-octane) is CCCCCC(C)(C)SC(C)(C)CCCCC.
How many hydrogen bond donor count does Thiobis(tert-octane) have?
Thiobis(tert-octane) has 0 hydrogen bond donor count.
What is the XLogP3-AA value for Thiobis(tert-octane)?
The XLogP3-AA value for Thiobis(tert-octane) is 6.8.
What is the topological polar surface area value for Thiobis(tert-octane)?
The topological polar surface area value for Thiobis(tert-octane) is 25.3 Ų.
How many rotatable bond count does Thiobis(tert-octane) have?
Thiobis(tert-octane) has 10 rotatable bond count.
Is the compound canonicalized for Thiobis(tert-octane)?
Yes, the compound is canonicalized for Thiobis(tert-octane).
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