6-Thio-3-deazaguanine
Basic information
- CAS
52605-85-3- Standard SMILES
Nc1cc2[nH]cnc2c(=S)[nH]1- InChIKey
JUAWPPZVIAZKEK-UHFFFAOYSA-N- Molecular formula
- C6H6N4S
- Average molar mass
- 166.21 g/mol
- Monoisotopic mass
- 166.03131738
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Thio-3-deazaguanine
- IUPAC
- 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
- English name
- 6-thio-3-deazaguanine
- Molecular formula
- C6H6N4S
- Molecular weight
- 166.2
Names & synonyms
6-Thio-3-deazaguanine3-Deaza-6-thioguanine52605-85-3DTXSID60200589RefChem:914082DTXCID401230806-Thio-3-deazguanineNIOSH/NJ5815000NJ581500006-Amino-1H-imidazo(4,5-c)pyridine-4(5H)-thione1H-Imidazo(4,5-c)pyridine-4(5H)-thione, 6-amino-4H-Imidazo(4,5-c)pyridine-4-thione, 6-amino-1,5-dihydro-
Show more names
4H-IMidazo[4,5-c]pyridine-4-thione, 6-aMino-3,5-dihydro-
4H-Imidazo[4,5-c]pyridine-4-thione, 6-amino-1,5-dihydro-6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione6-TDGDB-2295806-Amino-1,5-dihydro-4H-imidazo[4,5-c]pyridine-4-thione
Database identifiers
- CAS
52605-85-3- PubChem CID
- 3000245
- DTXSID
DTXSID60200589
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
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Related reactions
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Compound notes
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