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N-Cyano-N'-4-cyanophenylthiourea

HCID 14569040
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CNC(=S)Nc1ccc(C#N)cc1
InChIKey
KUDUVNLFJZOSPM-UHFFFAOYSA-N
Molecular formula
C9H6N4S
Average molar mass
202.24 g/mol
Monoisotopic mass
202.03131738

Names & identifiers

Preferred name
N-Cyano-N'-4-cyanophenylthiourea
IUPAC
1-cyano-3-(4-cyanophenyl)thiourea

Names & synonyms

N-Cyano-N'-(4-cyanophenyl)-Thiourea127749-51-3SCHEMBL7639228KUDUVNLFJZOSPM-UHFFFAOYSA-NN-Cyano-N'-4-cyanophenylthiourea

Database identifiers

PubChem CID
14569040

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
299

Related reactions

2 records
New reaction record
HRID 116318 reaction equation
HRID 116318As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 847172 reaction equation
HRID 847172As productuspto-grants-1992_08

Compound notes

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