5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

HCID 3939388

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Basic information

CAS
63204-30-8
Standard SMILES
Cc1ccc(Cc2c[nH]c(=S)[nH]c2=O)cc1
InChIKey
IJZRZKLMMNHAJC-UHFFFAOYSA-N
Molecular formula
C12H12N2OS
Average molar mass
232.3 g/mol
Monoisotopic mass
232.06703418

Names & identifiers

Preferred name
5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
IUPAC
5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Names & synonyms

63204-30-8NSC797005-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-oneSCHEMBL11450005DTXSID50398106IJZRZKLMMNHAJC-UHFFFAOYSA-N5-(4-Methylbenzyl)-2-thiouracilNSC-797005-[(4-Methylphenyl)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-oneDS-008889

Database identifiers

CAS
63204-30-8
PubChem CID
3939388
DTXSID
DTXSID50398106
Nikkaji
J696.880E

Properties

Computed structural propertiesFilling in

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

Related reactions

2 records

Compound notes

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