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Basic information
- CAS
10237-48-6- Standard SMILES
C=CCSC1N=NC(=O)NC1=O- InChIKey
HNHBWCGDPPWRHQ-UHFFFAOYSA-N- Molecular formula
- C6H7N3O2S
- Average molar mass
- 185.21 g/mol
- Monoisotopic mass
- 185.02589765
Names & identifiers
- Preferred name
- as-Triazine-3,5(2H,4H)-dione, 6-(allylthio)-
- IUPAC
- 6-prop-2-enylsulfanyl-6H-1,2,4-triazine-3,5-dione
- English name
- 5-Allylmercapto-6-azauracil
- Molecular formula
- C6H7N3O2S
- Molecular weight
- 185.2
Names & synonyms
5-Allylthio-6-azauracilNSC 107688BRN 07848436-(Allylthio)-as-triazine-3,5(2H,4H)-dioneas-Triazine-3,5(2H,4H)-dione, 6-(allylthio)-RefChem:32019210237-48-66-(prop-2-en-1-ylsulfanyl)-1,2,4-triazine-3,5(4h,6h)-dione6-(prop-2-en-1-ylsulfanyl)-3,4,5,6-tetrahydro-1,2,4-triazine-3,5-dioneMFCD000181066-allylsulfanyl-6H-1,2,4-triazine-3,5-dione5-Allylmercapto-6-azauracil
Show more names
4h)-dione,6-(allylthio)-as-triazine-5(2h1,2,4-Triazine-3,5(2H,4H)-dione, 6-(2-propen-1-ylthio)-
Database identifiers
- CAS
10237-48-6- PubChem CID
- 97244
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 6.82 · 6.82±0.40(Predicted)
Chemistry & industry
Suppliers13 total
HONEST JOY HOLDINGS LIMITED[email protected]
2A PharmaChem USA[email protected]
UK GREEN SCIENTIFIC CO.,LIMITED[email protected]
Leancare Ltd.[email protected]
Carbone Scientific CO., LTD[email protected]
THREEB-MED[email protected]
CHIMEX[email protected]
BOSCHESCI[email protected]
FWDCHEM[email protected]
CHEMICAL LAND21[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
上海皮化工有限公司86 021 58953700 58953706 · [email protected]
Related reactions
0 records
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Compound notes
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