Basic information
- CAS
7144-25-4- Standard SMILES
O=c1[nH]c(=S)[nH]cc1Oc1ccc(Cl)cc1Cl- InChIKey
GZOUVEFFNQFCEW-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2N2O2S
- Average molar mass
- 289.14 g/mol
- Monoisotopic mass
- 287.952704
Names & identifiers
- Preferred name
- Mls000736811
- IUPAC
- 5-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
MLS0007368117144-25-4DTXSID80398275RefChem:357076DTXCID10349134NSC73753SMR0005283345-(2,4-dichlorophenoxy)-2-sulfanylidene-1H-pyrimidin-4-oneNCIOpen2_004131CHEMBL1506226BDBM88114cid_3965652
Show more names
HMS2884D23NSC-737535-(2,4-dichlorophenoxy)-2-thioxo-1H-pyrimidin-4-one5-[2,4-bis(chloranyl)phenoxy]-2-sulfanylidene-1H-pyrimidin-4-one5-(2,4-Dichlorophenoxy)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
7144-25-4- PubChem CID
- 3965652
- DTXSID
DTXSID80398275- ChEMBL
CHEMBL1506226
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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