5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide

HCID 13617012CAS 106400-04-8

Grundinformationen

Standard-SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2O
InChIKey
MAZCFXDIYXGRAD-UHFFFAOYSA-N
Summenformel
C7H9NO5S3
Durchschnittliche Molmasse
283,4 g/mol
Monoisotopische Masse
282,96428539

Namen und Bezeichner

Bevorzugter Name
5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
IUPAC
4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide

Namen und Synonyme

CHEMBL314569MAZCFXDIYXGRAD-UHFFFAOYSA-N5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide105951-30-2SCHEMBL1804003DTXSID00872123BDBM500177274-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide106400-04-85,6-dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-2-sulfonamide
Weitere Namen anzeigen
(R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(R)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide

Datenbank-Bezeichner

CAS
106400-04-8
PubChem CID
13617012
DTXSID
DTXSID00872123
ChEMBL
CHEMBL314569

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,6
Polarare Oberfläche (TPSA)
160 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
1
Schwere Atome
16

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4

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