CAS
91374-25-3 Purity
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91374-25-3 Purity
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7-Hydroxy-2H-1,4-Benzothiazine-3(4H)-One
CAS
91375-75-6
Catalog Number
ACM91375756
Category
Other Products
Molecular Formula
C8H7NO2S
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Specification
Synonyms
7-Hydroxy-2H-1,4-benzothiazine-3(4H)-one;7-Hydroxy-4H-benzo[1,4]thiazin-3-one
IUPAC Name
7-hydroxy-4H-1,4-benzothiazin-3-one
Canonical SMILES
C1C(=O)NC2=C(S1)C=C(C=C2)O
InChI Key
GJRKJMSYGXBCNU-UHFFFAOYSA-N
Boiling Point
448.1ºC at 760 mmHg
Flash Point
224.8ºC
Density
1.43g/cm³
Exact Mass
181.02000
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula is C8H7NO2S.
What is the molecular weight of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight is 181.21 g/mol.
What are some synonyms for 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
Some synonyms include 7-hydroxy-2H-benzo[b][1,4]thiazin-3(4H)-one and 7-hydroxy-4H-1,4-benzothiazin-3-one.
When was 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one first created in the database?
It was first created on 2005-07-08.
What is the InChIKey for 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The InChIKey is GJRKJMSYGXBCNU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one have?
It has 2 hydrogen bond donor counts.
What is the exact mass of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The exact mass is 181.01974964 g/mol.
What is the topological polar surface area of 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one?
The topological polar surface area is 74.6 Å2.
How many heavy atoms does 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one contain?
It contains 12 heavy atoms.
Is 7-hydroxy-2H-1,4-benzothiazin-3(4H)-one a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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