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1-[2-(1H-Benzimidazol-2-yl)ethyl]thiourea

HCID 39150185
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=S)NCCc1nc2ccccc2[nH]1
InChIKey
MPSJIRDEUFIHMR-UHFFFAOYSA-N
Molecular formula
C10H12N4S
Average molar mass
220.3 g/mol
Monoisotopic mass
220.07826757

Names & identifiers

Preferred name
1-[2-(1H-Benzimidazol-2-yl)ethyl]thiourea
IUPAC
2-(1H-benzimidazol-2-yl)ethylthiourea

Names & synonyms

SCHEMBL2454322MPSJIRDEUFIHMR-UHFFFAOYSA-N1-[2-(1H-Benzimidazol-2-yl)ethyl]thiourea

Database identifiers

PubChem CID
39150185

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
98.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
233

Related reactions

3 records
New reaction record
HRID 210193 reaction equation
HRID 210193As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 912678 reaction equation
HRID 912678As productuspto-grants-2011_09
HRID 912679 reaction equation
HRID 912679As reactantuspto-grants-2011_09

Compound notes

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