Basic information
- CAS
316361-26-9- Standard SMILES
CSc1nnc(-c2ccc(NC(N)=S)cc2)o1- InChIKey
RVFZGBZWYBSRDP-UHFFFAOYSA-N- Molecular formula
- C10H10N4OS2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.0296033
Names & identifiers
- Preferred name
- [4-(5-Methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
- IUPAC
- [4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
Names & synonyms
[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea316361-26-9MLS001047499CHEMBL1601797DTXSID601326564HMS2784M24AKOS022121263SMR0004278281-(4-(5-(methylthio)-1,3,4-oxadiazol-2-yl)phenyl)thiourea[4-(5-Methylsulfanyl-[1,3,4]oxadiazol-2-yl)-phenyl]-thioureaN-{4-[5-(Methylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}thioureaThiourea, N-[4-[5-(methylthio)-1,3,4-oxadiazol-2-yl]phenyl]-
Database identifiers
- CAS
316361-26-9- PubChem CID
- 745321
- DTXSID
DTXSID601326564- ChEMBL
CHEMBL1601797
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Solubility11.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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