CAS
926921-59-7 Purity
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926921-59-7 Purity
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4-Isocyanato-4-(thien-2-yl)tetrahydro-2H-pyran
CAS
926921-63-3
Catalog Number
ACM926921633
Category
Other Products
Molecular Weight
209.27
Molecular Formula
C10H11NO2S
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Specification
Synonyms
4-(Thien-2-yl)tetrahydro-2H-pyran-4-yl isocyanate, 2-(4-Isocyanatotetrahydro-2H-pyran-4-yl)thiophene
IUPAC Name
4-isocyanato-4-thiophen-2-yloxane
InChI Key
CDJWJYYYKMFRFC-UHFFFAOYSA-N
Boiling Point
318.8ºC at 760 mmHg
Melting Point
49.5-52.5ºC
Flash Point
146.6ºC
Density
1.26g/cm³
Exact Mass
209.05100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C10H11NO2S.
What are some synonyms of the compound?
Some synonyms of the compound are 926921-63-3, 4-isocyanato-4-(thiophen-2-yl)oxane, and 4-isocyanato-4-(thien-2-yl)tetrahydro-2H-pyran.
When was the compound created and modified?
The compound was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-isocyanato-4-thiophen-2-yloxane.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H11NO2S/c12-8-11-10(3-5-13-6-4-10)9-2-1-7-14-9/h1-2,7H,3-6H2.
What is the molecular weight of the compound?
The molecular weight of the compound is 209.27 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 66.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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