4-Amino-2-sulfanylpyrimidine-5-carboxamide
Basic information
- CAS
89323-11-5- Standard SMILES
NC(=O)c1cnc(=S)[nH]c1N- InChIKey
WMWUEPZYYSWGGD-UHFFFAOYSA-N- Molecular formula
- C5H6N4OS
- Average molar mass
- 170.2 g/mol
- Monoisotopic mass
- 170.026232
Names & identifiers
- Preferred name
- 4-Amino-2-sulfanylpyrimidine-5-carboxamide
- IUPAC
- 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxamide
- English name
- 4-Amino-2-sulfanylpyrimidine-5-carboxamide
- Molecular formula
- C5H6N4OS
- Molecular weight
- 170.19
Names & synonyms
4-amino-2-sulfanylpyrimidine-5-carboxamide89323-11-54-Amino-2-mercaptopyrimidine-5-carboxamide6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxamideNSC517173SCHEMBL14619795DTXSID80391887PDA32311MFCD22192593AKOS024258557BS-3339NSC-517173
Show more names
5-Pyrimidinecarboxamide, 6-amino-1,2-dihydro-2-thioxo-
4-amino-2-sulfanyl-pyrimidine-5-carboxamide6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxamideF6660-38236-Amino-2-sulfanylidene-1,2-dihydropyrimidine-5-carboxamide
Database identifiers
- CAS
89323-11-5- PubChem CID
- 3371354
- DTXSID
DTXSID80391887
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 361.2 · 361.2±52.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.10(Predicted)
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
Chemistry & industry
Applications
Uses4-Amino-2-sulfanylpyrimidine-5-carboxamide is a building block of Favipiravir (F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal models.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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