Basic information
- CAS
40848-33-7- Standard SMILES
Nc1[nH]c(=O)[nH]c(=S)c1N- InChIKey
GXWCTUJSEWZPNM-UHFFFAOYSA-N- Molecular formula
- C4H6N4OS
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.026232
Names & identifiers
- Preferred name
- 5,6-Diamino-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
- IUPAC
- 5,6-diamino-4-sulfanylidene-1H-pyrimidin-2-one
- English name
- 4,5-Diamino-6-thiouracil
- Molecular formula
- C4H6N4OS
- Molecular weight
- 158.18
Names & synonyms
40848-33-7DTXSID305863475,6-Diamino-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-oneRefChem:298555DTXCID305371125,6-Diamino-4-thiouracil4,5-Diamino-6-thiouracil5,6-Diamino-4-thioxo-3,4-dihydropyrimidin-2(1H)-one5,6-Diamino-4-sulfanylidene-1H-pyrimidin-2-onediamino mercapto pyrimidoneSCHEMBL7564359SCHEMBL9514014
Show more names
4,5-Diamino-6-mercapto-2-hydroxypyrimidine5,6-Diamino-3,4-dihydro-4-thioxo-2(1H)-pyrimidinone2(1H)-Pyrimidinone, 5,6-diamino-3,4-dihydro-4-thioxo-
AKOS005067603AKOS006273535
Database identifiers
- CAS
40848-33-7- PubChem CID
- 16640892
- DTXSID
DTXSID30586347
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 270 °C · >270°C
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- solubility
- DMSO (slightly)
- pka
- 12.83 · 12.83±0.60(Predicted)
- form
- Solid
- color
- Orange
Chemistry & industry
Applications
UsesIntermediate for the synthesis of Thiouric Acid.
Suppliers8 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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