Basic information
- CAS
1421-27-8- Standard SMILES
S=c1nc[nH]c2[nH]ccc12- InChIKey
HTDPDLVWFWOIBZ-UHFFFAOYSA-N- Molecular formula
- C6H5N3S
- Average molar mass
- 151.19 g/mol
- Monoisotopic mass
- 151.02041835
Names & identifiers
- Preferred name
- Pyrrolo[2,3-d]pyrimidine-4-thione
- IUPAC
- 1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Names & synonyms
1421-27-8Pyrrolo[2,3-d]pyrimidine-4-thioneNSC617491,7-dihydropyrrolo[2,3-d]pyrimidine-4-thioneNSC-617497H-Pyrrolo(2,3-d)pyrimidine-4-thiol7H-pyrrolo[2,3-d]pyrimidine-4-thiolZ2Y3GQ4UZ56-Thioxo-7-deazahypoxanthine4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 1,7-dihydro-4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 3,7-dihydro-NIOSH/UY9410000
Show more names
SCHEMBL11076066SCHEMBL12997948DTXSID804084494-Mercaptopyrrolo(2,3-d)pyrimidineAKOS0062792841H-Pyrrolo[2,3-d]pyrimidine-4-thiolST50561586UY94100000
Database identifiers
- CAS
1421-27-8- PubChem CID
- 5111292
- DTXSID
DTXSID80408449- UNII
- Z2Y3GQ4UZ5
- EC Number
- 159-765-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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