CAS
91771-97-0 Purity
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91771-97-0 Purity
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o,o-Dimethyl[[(ethoxyethylphosphinothioyl)oxy]methyl]phosphonate
CAS
91772-41-7
Catalog Number
ACM91772417
Category
Other Products
Molecular Weight
275.219404 [g/mol]
Molecular Formula
C7H18O4P2S2
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Specification
Synonyms
CTK5H0448, AG-H-76978, O,O-DIMETHYL [[(ETHOXYETHYLPHOSPHINOTHIOYL)OXY]METHYL]PHOSPHONATE, 91772-41-7
IUPAC Name
dimethoxyphosphorylmethoxy-(1-ethoxyethyl)-sulfanylidenephosphanium
InChI Key
WHKOEIZUUAGVSF-UHFFFAOYSA-N
Boiling Point
318.5ºC at 760mmHg
Flash Point
146.4ºC
Density
1.223g/cm³
Exact Mass
275.02700
H-Bond Acceptor
6
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is dimethoxyphosphorylmethoxy-(2-ethoxyethyl)-sulfanylidenephosphanium.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H17O5P2S/c1-4-11-5-6-13(15)12-7-14(8,9-2)10-3/h4-7H2,1-3H3/q+1.
What is the InChIKey of the compound?
The InChIKey of the compound is UCGXCENXJFJLFU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOCC[P+](=S)OCP(=O)(OC)OC.
What is the molecular weight of the compound?
The molecular weight of the compound is 275.22 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.8.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
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91772-29-1 Purity
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CAS
91774-25-3 Purity
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91774-25-3 Purity
96%
