ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
Basic information
- CAS
75621-69-1- Standard SMILES
CCOC(=O)C(C)Sc1n[nH]c(=O)[nH]c1=O- InChIKey
URUOUMFVNNFQPD-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4S
- Average molar mass
- 245.26 g/mol
- Monoisotopic mass
- 245.04702701
Names & identifiers
- Preferred name
- ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
- IUPAC
- ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoate
Names & synonyms
75621-69-1ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoateEthyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio)propanoateNSC307183DTXSID80316833AKOS001596417AKOS016311742CCG-104527NSC-307183ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoateDS-010980ST50181981
Show more names
SR-01000079089SR-01000079089-1ethyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)propanoate
Database identifiers
- CAS
75621-69-1- PubChem CID
- 328548
- DTXSID
DTXSID80316833- Nikkaji
- J1.165.852K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
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Related reactions
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Compound notes
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