5-Iodo-2-(methylthio)pyrimidine-4,6-diamine
Basic information
- CAS
1383788-43-9- Standard SMILES
CSc1nc(N)c(I)c(N)n1- InChIKey
UGHMJPIINUNWIA-UHFFFAOYSA-N- Molecular formula
- C5H7IN4S
- Average molar mass
- 282.11 g/mol
- Monoisotopic mass
- 281.94362
Names & identifiers
- Preferred name
- 5-Iodo-2-(methylthio)pyrimidine-4,6-diamine
- IUPAC
- 5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
Names & synonyms
5-Iodo-2-(methylthio)pyrimidine-4,6-diamine1383788-43-95-IODO-2-(METHYLSULFANYL)PYRIMIDINE-4,6-DIAMINE5-Iodo-2-(methylthio)pyrimidine-4,6-diamine, AldrichCPR
Database identifiers
- CAS
1383788-43-9- PubChem CID
- 97046704
- EC Number
- 109-471-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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