CAS
90395-47-4 Purity
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90395-47-4 Purity
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6-Chloro-1-benzothiopyran-4-one 1,1-dioxide
CAS
90396-06-8
Catalog Number
ACM90396068
Category
Other Products
Molecular Weight
230.67
Molecular Formula
C9H7ClO3S
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Specification
Synonyms
6-Chloro-1-benzothiopyran-4-one 1,1-dioxide;6-Chloro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide;6-Chloro-1,2,3,4-tetrahydro-1lambda~6~-benzothiine-1,1,4-trione
IUPAC Name
6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one
Canonical SMILES
C1CS(=O)(=O)C2=C(C1=O)C=C(C=C2)Cl
InChI Key
ZFZPMYLZPMMUQA-UHFFFAOYSA-N
Boiling Point
467.6ºC at 760mmHg
Melting Point
148-150ºC
Flash Point
236.6ºC
Density
1.524g/cm³
Exact Mass
229.98000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
The molecular formula is C9H7ClO3S.
When was 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide created in PubChem?
It was created on July 19, 2005.
What is the molecular weight of 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
The molecular weight is 230.67 g/mol.
What is the InChIKey for 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
The InChIKey is ZFZPMYLZPMMUQA-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
The topological polar surface area is 59.6 Angstrom^2.
Is 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
What is the CAS number for 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
The CAS number is 90396-06-8.
How many heavy atoms are present in 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide?
There are 14 heavy atoms present.
Does 6-Chloro-1-benzothiopyran-4-one 1,1-dioxide have any defined atom stereocenters?
No, it does not have any defined atom stereocenters.
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