CAS
93918-91-3 Purity
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93918-91-3 Purity
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2-Ethylhexyl 3-(dodecylthio)propionate
CAS
93918-94-6
Catalog Number
ACM93918946
Category
Other Products
Molecular Weight
386.675140 [g/mol]
Molecular Formula
C23H46O2S
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Specification
Synonyms
2-Ethylhexyl 3-(dodecylthio)propionate, EINECS 299-976-0, CID3022908, 93918-94-6
IUPAC Name
2-ethylhexyl 3-dodecylsulfanylpropanoate
SMILES
CCCCCCCCCCCCSCCC(=O)OCC(CC)CCCC
InChI Key
IHZZQTXEGJYUKL-UHFFFAOYSA-N
Boiling Point
468.1ºC at 760mmHg
Flash Point
206.6ºC
Density
0.907g/cm³
EC Number
299-976-0
Exact Mass
386.32200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Ethylhexyl 3-(dodecylthio)propionate?
The molecular formula is C23H46O2S.
When was 2-Ethylhexyl 3-(dodecylthio)propionate created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC Name of 2-Ethylhexyl 3-(dodecylthio)propionate?
The IUPAC Name is 2-ethylhexyl 3-dodecylsulfanylpropanoate.
What is the InChIKey of 2-Ethylhexyl 3-(dodecylthio)propionate?
The InChIKey is IHZZQTXEGJYUKL-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Ethylhexyl 3-(dodecylthio)propionate?
The Canonical SMILES is CCCCCCCCCCCCSCCC(=O)OCC(CC)CCCC.
What is the Molecular Weight of 2-Ethylhexyl 3-(dodecylthio)propionate?
The Molecular Weight is 386.7 g/mol.
How many hydrogen bond donor count does 2-Ethylhexyl 3-(dodecylthio)propionate have?
It has a hydrogen bond donor count of 0.
What is the topological polar surface area of 2-Ethylhexyl 3-(dodecylthio)propionate?
The topological polar surface area is 51.6 Ų.
How many rotatable bond count does 2-Ethylhexyl 3-(dodecylthio)propionate have?
It has a rotatable bond count of 21.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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