CHEBI:138415 - N,N'-dibutylthiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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.
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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 Waiting for Citations Types Sources
15606652 PubMed citation Europe PMC
28295200 PubMed citation Europe PMC
Last Modified
13 September 2017