CAS
94440-39-8 Purity
96%
94440-39-8 Purity
96%
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2,2,7,7-Tetramethyloctane-3,6-dithione
CAS
94441-88-0
Catalog Number
ACM94441880
Category
Other Products
Molecular Weight
230.433080 [g/mol]
Molecular Formula
C12H22S2
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Specification
Synonyms
EINECS 305-313-9, CID3024354, 2,2,7,7-Tetramethyloctane-3,6-dithione, 94441-88-0
IUPAC Name
2,2,7,7-tetramethyloctane-3,6-dithione
Canonical SMILES
CC(C)(C)C(=S)CCC(=S)C(C)(C)C
InChI Key
ANUNCVWREULBJL-UHFFFAOYSA-N
Boiling Point
300.2ºC at 760mmHg
Flash Point
135.3ºC
Density
0.973g/cm³
EC Number
305-313-9
Exact Mass
230.11600
H-Bond Acceptor
0
H-Bond Donor
0
What is the molecular formula of 2,2,7,7-tetramethyloctane-3,6-dithione?
The molecular formula of 2,2,7,7-tetramethyloctane-3,6-dithione is C12H22S2.
When was 2,2,7,7-tetramethyloctane-3,6-dithione created?
2,2,7,7-tetramethyloctane-3,6-dithione was created on August 8, 2005.
What is the InChIKey of 2,2,7,7-tetramethyloctane-3,6-dithione?
The InChIKey of 2,2,7,7-tetramethyloctane-3,6-dithione is ANUNCVWREULBJL-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2,2,7,7-tetramethyloctane-3,6-dithione have?
2,2,7,7-tetramethyloctane-3,6-dithione has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 2,2,7,7-tetramethyloctane-3,6-dithione?
The XLogP3-AA value of 2,2,7,7-tetramethyloctane-3,6-dithione is 3.5.
How many rotatable bond counts does 2,2,7,7-tetramethyloctane-3,6-dithione have?
2,2,7,7-tetramethyloctane-3,6-dithione has 5 rotatable bond counts.
What is the topological polar surface area of 2,2,7,7-tetramethyloctane-3,6-dithione?
The topological polar surface area of 2,2,7,7-tetramethyloctane-3,6-dithione is 64.2Å^2.
How many defined atom stereocenter counts does 2,2,7,7-tetramethyloctane-3,6-dithione have?
2,2,7,7-tetramethyloctane-3,6-dithione has 0 defined atom stereocenter counts.
Is 2,2,7,7-tetramethyloctane-3,6-dithione canonicalized?
Yes, 2,2,7,7-tetramethyloctane-3,6-dithione is canonicalized.
What is the molecular weight of 2,2,7,7-tetramethyloctane-3,6-dithione?
The molecular weight of 2,2,7,7-tetramethyloctane-3,6-dithione is 230.4 g/mol.
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