Basic information
- CAS
110076-51-2- Standard SMILES
COc1cccc(CSc2nnc(N)s2)c1- InChIKey
PTUKTIIOSZCEMY-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.03435433
Names & identifiers
- Preferred name
- 5-((3-Methoxybenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
110076-51-25-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine5-((3-Methoxybenzyl)sulfanyl)-1,3,4-thiadiazol-2-amine5-[(3-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-ylamineMFCD009257545-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amineOprea1_010216CHEMBL367199SCHEMBL4853872DTXSID701192790AKOS0002040235T-0852
Show more names
5-[[(3-Methoxyphenyl)methyl]thio]-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
110076-51-2- PubChem CID
- 3836613
- DTXSID
DTXSID701192790- ChEMBL
CHEMBL367199- Nikkaji
- J1.524.515H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…