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English
Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
benzothiazole alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
304.973518384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂INS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC[n+]1c(C)sc2ccccc21.[I-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
0 references
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
0 references
CAS Registry Number
3119-93-5
1 reference
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3119-93-5
ChemSpider ID
2011584
0 references
PubChem CID
2729630
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
SureChEMBL ID
SCHEMBL56400
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
SCHEMBL56401
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
UniChem compound ID
23476464
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00883951
1 reference
matched by identifier from
InChIKey
InChIKey
HWFCSPDBFXYFKY-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID701023428
0 references
AICS Chemical ID (BEING DELETED)
3213
0 references
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