4-ethyl-5-mercapto-4H-1,2,4-triazol-3-ol
Basic information
- CAS
53249-23-3- Standard SMILES
CCn1c(=O)[nH][nH]c1=S- InChIKey
DKTYXICXRGSHFV-UHFFFAOYSA-N- Molecular formula
- C4H7N3OS
- Average molar mass
- 145.19 g/mol
- Monoisotopic mass
- 145.03098303
Names & identifiers
- Preferred name
- 4-ethyl-5-mercapto-4H-1,2,4-triazol-3-ol
- IUPAC
- 4-ethyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Names & synonyms
53249-23-34-ethyl-5-mercapto-4H-1,2,4-triazol-3-olDTXSID10368926RefChem:292606DTXCID203199644-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-ol4-ethyl-5-sulfanylidene-1,2,4-triazolidin-3-oneSCHEMBL8647302SCHEMBL15779533DKTYXICXRGSHFV-UHFFFAOYSA-NAKOS005199423AKOS008967725
Show more names
4-Ethyl-1,2,4-triazol-3-thione-5-oneCS-0222842EN300-112834-ethyl-3-sulfanyl-1H-1,2,4-triazol-5-oneZ570419684-ethyl-5-mercapto-4H-1,2,4-triazol-3-ol, AldrichCPR4-Ethyl-5-sulfanyl-2,4-dihydro-3H-1,2,4-triazol-3-one #
Database identifiers
- CAS
53249-23-3- PubChem CID
- 2554469
- DTXSID
DTXSID10368926
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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