1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
Basic information
- CAS
17017-91-3- Standard SMILES
NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O- InChIKey
KDRFQWXSVKKJEZ-UHFFFAOYSA-N- Molecular formula
- C4H5N3O4S
- Average molar mass
- 191.17 g/mol
- Monoisotopic mass
- 191.00007682
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamide
- IUPAC
- 2,4-dioxo-1H-pyrimidine-5-sulfonamide
- English name
- 5-sulfaminouracil
- Molecular formula
- C4H5N3O4S
- Molecular weight
- 191.17
Names & synonyms
5-Sulfaminouracil17017-91-35-Pyrimidinesulfonamide, 1,2,3,4-tetrahydro-2,4-dioxo-DTX6RLP2IUNSC-41963DTXSID7066144RefChem:5378061,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinesulfonamideDTXCID70354362,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide2,4-dioxo-1H-pyrimidine-5-sulfonamideSAU
Show more names
5-Pyrimidinesulfonamide,1,2,3,4-tetrahydro-2,4-dioxo-(8CI,9CI)
NSC41963NSC 41963uracil-5-sulfonamideUNII-DTX6RLP2IUSCHEMBL3945548SAA01791STL2756402,4-Dihydroxy-5-sulfamoyl pyrimidine
Database identifiers
- CAS
17017-91-3- PubChem CID
- 73270
- DTXSID
DTXSID7066144- UNII
- DTX6RLP2IU
- EC Number
- 859-942-3
- Nikkaji
- J421.983J
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- pka
- 6.4 · 6.40±0.10(Predicted)
- FDA UNII
- 6 RLP2IU · DTX6RLP2IU
- EPA Substance Registry System
- 5 · 5-Pyrimidinesulfonamide, 1,2,3,4-tetrahydro-2,4-dioxo- (17017-91-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Pyrimidinesulfonamide, 1,2,3,4-tetrahydro-2,4-dioxo-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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