Basic information
- CAS
299935-71-0- Standard SMILES
Cc1ccc(SCc2nnc(N)s2)cc1- InChIKey
FKLBLCYIRCCGAK-UHFFFAOYSA-N- Molecular formula
- C10H11N3S2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.03943971
Names & identifiers
- Preferred name
- 5-(((4-Methylphenyl)thio)methyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
299935-71-05-[[(4-Methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-amine5-(((4-Methylphenyl)thio)methyl)-1,3,4-thiadiazol-2-amineRefChem:2990225-{[(4-methylphenyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-amineOprea1_253632MLS000027405CHEMBL1517351DTXSID601196244HMS2178I21STK065888AKOS005388758
Show more names
NCGC00019011-01NCGC00019011-02SMR0000372575-((p-tolylthio)methyl)-1,3,4-thiadiazol-2-amine5-[(p-tolylsulfanyl)methyl]-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
299935-71-0- PubChem CID
- 659643
- DTXSID
DTXSID601196244- ChEMBL
CHEMBL1517351
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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