Basic information
- CAS
42204-09-1- Standard SMILES
S=c1nc[nH]c2c1ncn2C1CCCO1- InChIKey
DXIBRFHEZZOPFH-UHFFFAOYSA-N- Molecular formula
- C9H10N4OS
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.05753213
Overview
9-(2-oxolanyl)-3H-purine-6-thione is a member of purines and a thiocarbonyl compound.
Names & identifiers
- Preferred name
- 6-Mercapto-9-(tetrahydro-2-furyl)purine
- IUPAC
- 9-(oxolan-2-yl)-3H-purine-6-thione
- English name
- 6-mercapto-9-(tetrahydro-2-furyl)purine
- Molecular formula
- C9H10N4OS
- Molecular weight
- 222.2669
Names & synonyms
42204-09-16-Mercapto-9-(tetrahydro-2-furyl)purine9-(tetrahydro-2-furyl)-6-mercaptopurineTHFMPRefChem:1049009-(tetrahydro-2-furyl)-6-purinethiol9-(Tetrahydrofuran-2-yl)-9H-purine-6-thiolAX 569H-Purine-6-thiol, 9-(tetrahydro-2-furyl)-SK 25533MLS0007365999-(oxolan-2-yl)-9H-purine-6-thiol
Show more names
6H-Purine-6-thione, 1,9-dihydro-9-(tetrahydro-2-furanyl)-9-(oxolan-2-yl)-3H-purine-6-thioneNSC 45153SCHEMBL191944CHEMBL1567192CHEBI:114320DXIBRFHEZZOPFH-UHFFFAOYSA-NNSC45153
Database identifiers
- CAS
42204-09-1- PubChem CID
- 3000792
- ChEMBL
CHEMBL1567192- ChEBI
CHEBI:114320
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Chemistry & industry
Suppliers1 total
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Additional notes
DefinitionChEBI: 9-(2-oxolanyl)-3H-purine-6-thione is a thiocarbonyl compound and a member of purines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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