Basic information
- CAS
500118-32-1- Standard SMILES
Cn1c(=O)c2c(nc(SCC(N)=O)n2Cc2ccccc2)n(C)c1=O- InChIKey
SGAUQUBCGDVYBE-UHFFFAOYSA-N- Molecular formula
- C16H17N5O3S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.10521059
Names & identifiers
- Preferred name
- 2-(7-Benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
- IUPAC
- 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
- English name
- 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
- Molecular formula
- C16H17N5O3S
- Molecular weight
- 359.40288
Names & synonyms
2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide500118-32-12-[1,3-dimethyl-2,6-dioxo-7-benzyl-1,3,7-trihydropurin-8-ylthio]acetamideOprea1_110891Oprea1_680761AKOS000722095CCG-290630NCGC00343213-01ST51071917VU0607599-1AB01314747-01SR-01000369064
Show more names
SR-01000369064-1F3259-0407Z2746018422-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide2-((7-BENZYL-1,3-DI-ME-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)THIO)ACETAMIDE
Database identifiers
- CAS
500118-32-1- PubChem CID
- 978604
- EC Number
- 120-370-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…