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(Q72508616)
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English
2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid
chemical compound
2-(2-Thienyl)thiazole-4-carboxylic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
210.9761704
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₅NO₂S₂
0 references
canonical SMILES
C1=CSC(=C1)C2=NC(=CS2)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
0 references
InChIKey
FGKCNTGJZXHKFJ-UHFFFAOYSA-N
0 references
CAS Registry Number
24044-07-3
0 references
PubChem CID
2776317
1 reference
matched by identifier from
InChIKey
InChIKey
FGKCNTGJZXHKFJ-UHFFFAOYSA-N
ChEBI ID
195101
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
UniChem compound ID
910756
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40379984
1 reference
matched by identifier from
InChIKey
InChIKey
FGKCNTGJZXHKFJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70331010
0 references
PDB ligand ID
JLG
0 references
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