CAS
93981-24-9 Purity
96%
93981-24-9 Purity
96%
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1-Methylheptyl mercaptoacetate
CAS
93981-31-8
Catalog Number
ACM93981318
Category
Other Products
Molecular Weight
204.329600 [g/mol]
Molecular Formula
C10H20O2S
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Specification
Synonyms
1-Methylheptyl mercaptoacetate, CID33187, EINECS 301-115-1, 93981-31-8
IUPAC Name
octan-2-yl 2-sulfanylacetate
Canonical SMILES
CCCCCCC(C)OC(=O)CS
InChI Key
ULKCVDYSSGJDNH-UHFFFAOYSA-N
Boiling Point
270.9ºC at 760mmHg
Flash Point
137.4ºC
Density
0.966g/cm³
EC Number
301-115-1
Exact Mass
204.11800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Methylheptyl mercaptoacetate?
The molecular formula of 1-Methylheptyl mercaptoacetate is C10H20O2S.
What is the molecular weight of 1-Methylheptyl mercaptoacetate?
The molecular weight of 1-Methylheptyl mercaptoacetate is 204.33 g/mol.
What is the IUPAC name of 1-Methylheptyl mercaptoacetate?
The IUPAC name of 1-Methylheptyl mercaptoacetate is octan-2-yl 2-sulfanylacetate.
What is the InChIKey of 1-Methylheptyl mercaptoacetate?
The InChIKey of 1-Methylheptyl mercaptoacetate is ULKCVDYSSGJDNH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Methylheptyl mercaptoacetate have?
1-Methylheptyl mercaptoacetate has 1 hydrogen bond donor count.
What is the topological polar surface area of 1-Methylheptyl mercaptoacetate?
The topological polar surface area of 1-Methylheptyl mercaptoacetate is 27.3 Ų.
Does 1-Methylheptyl mercaptoacetate have any defined atom stereocenter counts?
1-Methylheptyl mercaptoacetate has 0 defined atom stereocenter counts.
How many rotatable bond counts does 1-Methylheptyl mercaptoacetate have?
1-Methylheptyl mercaptoacetate has 8 rotatable bond counts.
What is the exact mass of 1-Methylheptyl mercaptoacetate?
The exact mass of 1-Methylheptyl mercaptoacetate is 204.11840105 g/mol.
Is 1-Methylheptyl mercaptoacetate a canonicalized compound?
Yes, 1-Methylheptyl mercaptoacetate is a canonicalized compound.
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