2-amino-9-methyl-3,9-dihydro-6H-purine-6-thione
Basic information
- CAS
2382-18-5- Standard SMILES
Cn1cnc2c(=S)nc(N)[nH]c21- InChIKey
VXSWGJDRVXNRKE-UHFFFAOYSA-N- Molecular formula
- C6H7N5S
- Average molar mass
- 181.22 g/mol
- Monoisotopic mass
- 181.04221642
Names & identifiers
- Preferred name
- 2-amino-9-methyl-3,9-dihydro-6H-purine-6-thione
- IUPAC
- 2-amino-9-methyl-3H-purine-6-thione
Names & synonyms
2382-18-5NSC262902-amino-9-methyl-3,9-dihydro-6H-purine-6-thioneSCHEMBL3291325SCHEMBL17226007DTXSID80391761NSC-26290DS-0059126H-PURINE-6-THIONE,2-AMINO-1,9-DIHYDRO-9-METHYL-
Database identifiers
- CAS
2382-18-5- PubChem CID
- 3358633
- DTXSID
DTXSID80391761- Nikkaji
- J1.691.703F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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