5-(2-Phenylethyl)-2-thiouracil

HCID 12945971
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Basic information

Standard SMILES
O=c1[nH]c(=S)[nH]cc1CCc1ccccc1
InChIKey
GOYATWUAKNCPCE-UHFFFAOYSA-N
Molecular formula
C12H12N2OS
Average molar mass
232.3 g/mol
Monoisotopic mass
232.06703418

Names & identifiers

Preferred name
5-(2-Phenylethyl)-2-thiouracil
IUPAC
5-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Names & synonyms

SCHEMBL114583105-(2-Phenylethyl)-2-thiouracilGOYATWUAKNCPCE-UHFFFAOYSA-N

Database identifiers

PubChem CID
12945971

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
73.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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