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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:138415 -
N
,
N
'-dibutylthiourea
Main
ChEBI Ontology
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ChEBI Name
N
,
N
'-dibutylthiourea
ChEBI ID
CHEBI:138415
ChEBI ASCII Name
N,N'-dibutylthiourea
Definition
Thiourea in which each nitrogen carries a butyl substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H20N2S
Net Charge
0
Average Mass
188.335
Monoisotopic Mass
188.13472
InChI
InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKey
KFFQABQEJATQAT-UHFFFAOYSA-N
SMILES
C(CNC(NCCCC)=S)CC
Roles Classification
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
,
N
'-dibutylthiourea (
CHEBI:138415
)
has role
allergen (
CHEBI:50904
)
N
,
N
'-dibutylthiourea (
CHEBI:138415
)
is a
thioureas (
CHEBI:51276
)
IUPAC Name
N
,
N
'-dibutylthiourea
Synonyms
Sources
1,3-Di-n-butyl-2-thiourea
ChemIDplus
1,3-Dibutyl-2-thiourea
ChemIDplus
1,3-Dibutylthiourea
ChemIDplus
DBTU
ChEBI
N
,
N
'-di-n-butylthiourea
ChEBI
s
-dibutylthiourea
ChEBI
sym
-dibutylthiourea
ChEBI
Registry Numbers
Types
Sources
109-46-6
CAS Registry Number
ChemIDplus
109-46-6
CAS Registry Number
NIST Chemistry WebBook
507434
Beilstein Registry Number
ChemIDplus
507434
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15606652
PubMed citation
Europe PMC
28295200
PubMed citation
Europe PMC
Last Modified
13 September 2017