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2-heptylthiophene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
182.112921576
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₈S
0 references
canonical SMILES
CCCCCCCC1=CC=CS1
0 references
Identifiers
InChI
InChI=1S/C11H18S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
0 references
InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N
0 references
CAS Registry Number
18794-78-0
1 reference
InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=18794-78-0
PubChem CID
87794
1 reference
matched by identifier from
InChIKey
InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL159475
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N
UniChem compound ID
25426567
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007778
0 references
DSSTox substance ID
DTXSID10172121
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
FGGZOCMVJAJPMH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9094612
0 references
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