4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
Basic information
- CAS
52222-43-2- Standard SMILES
CSc1nc(N)c(N=O)c(N)n1- InChIKey
QHDIORZOMVHNGS-UHFFFAOYSA-N- Molecular formula
- C5H7N5OS
- Average molar mass
- 185.21 g/mol
- Monoisotopic mass
- 185.03713104
Names & identifiers
- Preferred name
- 4,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-
- IUPAC
- 2-methylsulfanyl-5-nitrosopyrimidine-4,6-diamine
Names & synonyms
52222-43-24,6-Pyrimidinediamine, 2-(methylthio)-5-nitroso-DTXSID40316470RefChem:285998DTXCID802675932-methylsulfanyl-5-nitrosopyrimidine-4,6-diamine2-(Methylthio)-5-nitrosopyrimidine-4,6-diamine2-(methylsulfanyl)-5-nitrosopyrimidine-4,6-diamineNSC3037346-amino-2-(methylsulfanyl)-5-nitrosopyrimidin-4-ylamineSCHEMBL5456964QHDIORZOMVHNGS-UHFFFAOYSA-N
Show more names
SBB090278AKOS006276842NSC-303734DS-0042672-methylthio-5-nitrosopyrimidine-4,6-diamine4,6-diamino-2-methylthio-5-nitrosopyrimidine2-Methylsulfanyl-5-nitroso-pyrimidine-4,6-diamineAB-323/25048339
Database identifiers
- CAS
52222-43-2- PubChem CID
- 327684
- DTXSID
DTXSID40316470- Nikkaji
- J2.453.652A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
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Related reactions
4 records
Compound notes
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