Basic information
- CAS
79515-86-9- Standard SMILES
C#CCSc1ncnc2nc[nH]c12- InChIKey
XUTFGQCVGBZCJL-UHFFFAOYSA-N- Molecular formula
- C8H6N4S
- Average molar mass
- 190.23 g/mol
- Monoisotopic mass
- 190.03131738
Names & identifiers
- Preferred name
- 6-(2-Propyn-1-ylthio)-9H-purine
- IUPAC
- 6-prop-2-ynylsulfanyl-7H-purine
Names & synonyms
1H-Purine, 6-(2-propynylthio)-Purine, 6-(2-propynylthio)-6-(2-Propynylthio)purineNSC 22025RDG2X72FAHAI3-50253UNII-RDG2X72FAH6-(2-Propyn-1-ylthio)-9H-purineNSC-220259H-Purine, 6-(2-propyn-1-ylthio)-DTXSID80229757RefChem:199050
Show more names
DTXCID3015224879515-86-96-(Prop-2-yn-1-ylthio)-7H-purine6-prop-2-ynylthiopurine6-(prop-2-yn-1-ylsulfanyl)purineNSC22025AKOS0054553046-[(Prop-2-yn-1-yl)sulfanyl]-7H-purine
Database identifiers
- CAS
79515-86-9- PubChem CID
- 95176
- DTXSID
DTXSID80229757- UNII
- RDG2X72FAH
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…