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(Q105007902)
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English
4-{[2,2'-bithiophen]-5-yl}-1-chlorobut-3-yn-2-ol
group of stereoisomers with the chemical formula C₁₂H₉ClOS₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
267.97833458800005
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₉ClOS₂
0 references
canonical SMILES
ClCC(O)C#CC=1SC(=CC1)C=2SC=CC2
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Identifiers
InChI
InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2
0 references
InChIKey
GFYWABYZRGXGNU-UHFFFAOYSA-N
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CAS Registry Number
1020-03-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
85528914
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFYWABYZRGXGNU-UHFFFAOYSA-N
ChEBI ID
184939
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2
UniChem compound ID
31998501
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901248824
1 reference
matched by identifier from
InChIKey
InChIKey
GFYWABYZRGXGNU-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033269
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFYWABYZRGXGNU-UHFFFAOYSA-N
KNApSAcK ID
C00054206
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GFYWABYZRGXGNU-UHFFFAOYSA-N
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