1-(3-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea

HCID 797529
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Basic information

CAS
56913-85-0
Standard SMILES
Fc1cccc(NC(=S)NCc2ccncc2)c1
InChIKey
DMYPLWHITUQESN-UHFFFAOYSA-N
Molecular formula
C13H12FN3S
Average molar mass
261.32 g/mol
Monoisotopic mass
261.0735966

Names & identifiers

Preferred name
1-(3-Fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea
IUPAC
1-(3-fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea

Names & synonyms

1-(3-fluorophenyl)-3-(pyridin-4-ylmethyl)thiourea56913-85-0STK144317Thiourea, N-(3-fluorophenyl)-N'-(4-pyridinylmethyl)-SCHEMBL11646017DTXSID80355363DMYPLWHITUQESN-UHFFFAOYSA-NAKOS003725682AB00115336-01SR-010002408481-(m-fluorophenyl)-3-(4-pyridylmethyl)-2-thioureaN-(3-fluorophenyl)-N'-(4-pyridinylmethyl)thiourea
Show more names
SR-01000240848-1N-(3-Fluorophenyl)-N'-[(pyridin-4-yl)methyl]thiourea

Database identifiers

CAS
56913-85-0
PubChem CID
797529
DTXSID
DTXSID80355363

Properties

Computed structural propertiesFilling in

XLogP
2.1
Topological polar surface area
69 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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