3-(difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine
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Basic information
- CAS
832737-84-5- Standard SMILES
CCSc1nnc(C(F)F)n1N- InChIKey
DFKHPFQZSYBRFJ-UHFFFAOYSA-N- Molecular formula
- C5H8F2N4S
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.04377377
Names & identifiers
- Preferred name
- 3-(difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
- English name
- 3-DIFLUOROMETHYL-5-ETHYLSULFANYL-[1,2,4]TRIAZOL-4-YLAMINE
- Molecular formula
- C5H8F2N4S
- Molecular weight
- 194.21
Names & synonyms
3-(difluoromethyl)-5-(ethylthio)-4H-1,2,4-triazol-4-amine832737-84-53-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-amineMFCD049691203-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine4H-1,2,4-triazol-4-amine, 3-(difluoromethyl)-5-(ethylthio)-5-(difluoromethyl)-3-ethylthio-1,2,4-triazole-4-ylamineC5H8F2N4SDFKHPFQZSYBRFJ-UHFFFAOYSA-N3-Difluoromethyl-5-ethylsulfanyl-[1,2,4]triazol-4-ylamineDTXSID101197792ALBB-021549
Show more names
AKOS B018557ART-CHEM-BB B0185573-(DIFLUOROMETHYL)-5-(ETHYLSULFANYL)-4H-1,2,4-TRIAZOL-4-YLAMINE
SBB021742STK312418AKOS000307816LS-06477CS-0299674ST45091476EN300-229319H33065
Database identifiers
- CAS
832737-84-5- PubChem CID
- 7017449
- DTXSID
DTXSID101197792
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
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Compound notes
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