CAS
95598-13-3 Purity
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95598-13-3 Purity
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6-(2-hydroxyethoxy)-1,3-benzothiazole-2-sulfonamide
CAS
95599-36-3
Catalog Number
ACM95599363
Category
Other Products
Molecular Weight
274.317 g/mol
Molecular Formula
C9H10N2O4S2
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Specification
IUPAC Name
6-(2-hydroxyethoxy)-1,3-benzothiazole-2-sulfonamide
SMILES
C1=CC2=C(C=C1OCCO)SC(=N2)S(=O)(=O)N
InChI Key
XIFUCWWEBDMYEV-UHFFFAOYSA-N
Exact Mass
274.00800
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 94706?
The molecular formula is C9H10N2O4S2.
When was the compound first created and last modified in PubChem?
It was first created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 6-(2-hydroxyethoxy)-1,3-benzothiazole-2-sulfonamide.
What is the InChI of the compound?
The InChI is InChI=1S/C9H10N2O4S2/c10-17(13,14)9-11-7-2-1-6(15-4-3-12)5-8(7)16-9/h1-2,5,12H,3-4H2,(H2,10,13,14).
What is the InChIKey of the compound?
The InChIKey is XIFUCWWEBDMYEV-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1=CC2=C(C=C1OCCO)SC(=N2)S(=O)(=O)N.
What is the molecular weight of the compound?
The molecular weight is 274.3 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 139 Ų.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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