Basic information
- CAS
608-12-8- Standard SMILES
O=C(O)CCCCSc1ncnc2nc[nH]c12- InChIKey
FWYNOXVCJSRVQV-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2S
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.06809681
Overview
structure
Names & identifiers
- Preferred name
- Buthiopurine
- IUPAC
- 5-(7H-purin-6-ylsulfanyl)pentanoic acid
- English name
- Buthiopurin
- Molecular formula
- C10H12N4O2S
- Molecular weight
- 252.29
Names & synonyms
Buthiopurine608-12-8CitogranCytogranValeric acid, 5-(purin-6-ylthio)-5-(6-Purinylthio)valeric acidPentanoic acid, 5-(1H-purin-6-ylthio)-5-(1H-Purin-6-ylthio)pentanoic acid5-(Purin-6-ylthio)valeric acidR42DMT2P1HDTXSID30209640NSC-130678
Show more names
5-(7H-purin-6-ylthio)valeric acid
RefChem:122155DTXCID80132131Buthiopurin5-((9H-PURIN-6-YL)THIO)PENTANOIC ACID5-(7H-purin-6-ylsulfanyl)pentanoic acid6-(4-Carboxybutyl)mercaptopurinePENTANOIC ACID, 5-(9H-PURIN-6-YLTHIO)-6-(4-Carboxybutyl)mercaptopurin
Database identifiers
- CAS
608-12-8- PubChem CID
- 97530
- DTXSID
DTXSID30209640- ChEMBL
CHEMBL452846- UNII
- R42DMT2P1H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- FDA UNII
- 42 DMT2P1H · R42DMT2P1H
Chemistry & industry
Suppliers3 total
LGM Pharma1-(800)-881-8210 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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