Basic information
- CAS
125209-33-8- Standard SMILES
O=C(Sc1cccn2c(=O)ccnc12)N1CCSCC1- InChIKey
BCIOODXIPGKJTJ-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2S2
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.04491901
Names & identifiers
- Preferred name
- 4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester
- IUPAC
- S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioate
- English name
- S-(4-Oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) 4-thiomorpholinecarbothioate
- Molecular formula
- C13H13N3O2S2
- Molecular weight
- 307.39
Names & synonyms
125209-33-8S-(4-Oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) 4-thiomorpholinecarbothioate4-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl) ester9-((4-Thiomorpholin-4-yl)carbonylthio)-4-oxo-4H-pyrido(1,2-a)pyrimidineDTXSID90154708RefChem:296637DTXCID5077199S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioateS-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-9-yl) thiomorpholine-4-carbothioateSCHEMBL104748224-Thiomorpholinecarbothioic acid, S-(4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl) ester
Database identifiers
- CAS
125209-33-8- PubChem CID
- 3079331
- DTXSID
DTXSID90154708
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 560
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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