Basic information
- CAS
6080-36-0- Standard SMILES
Nc1nnc(SCc2ccccc2F)s1- InChIKey
IDUVACIKPBPMOZ-UHFFFAOYSA-N- Molecular formula
- C9H8FN3S2
- Average molar mass
- 241.3 g/mol
- Monoisotopic mass
- 241.01436778
Names & identifiers
- Preferred name
- 5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
- IUPAC
- 5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
- English name
- 5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C9H8FN3S2
- Molecular weight
- 241.31
Names & synonyms
5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine6080-36-0299932-87-95-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-amineC9H8FN3S25-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amineMFCD018602815-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazole-2-ylamine6591AECBMicro_009936
Show more names
AURORA 22441VITAS-BB TBB000108TIMTEC-BB SBB011810
Cambridge id 6080360Oprea1_180345Oprea1_498728MLS000529443SCHEMBL3901796CHEMBL1567231DTXSID40976275HMS2745C03
Database identifiers
- CAS
6080-36-0- PubChem CID
- 735097
- DTXSID
DTXSID40976275- ChEMBL
CHEMBL1567231
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
Solubility>36.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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