Basic information
- CAS
40277-37-0- Standard SMILES
Cc1nnc2c3c4c(sc3ncn12)CCCC4- InChIKey
MUNPYAZQQWYCOH-UHFFFAOYSA-N- Molecular formula
- C12H12N4S
- Average molar mass
- 244.32 g/mol
- Monoisotopic mass
- 244.07826757
Names & identifiers
- Preferred name
- 8,9,10,11-Tetrahydro-3-methyl[1]benzothieno[3,2-e]-1,2,4-triazolo[4,3-c]pyrimidine
- IUPAC
- 5-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Names & synonyms
40277-37-08,9,10,11-Tetrahydro-3-methyl[1]benzothieno[3,2-e]-1,2,4-triazolo[4,3-c]pyrimidine8,9,10,11-Tetrahydro-3-methyl(1)benzothieno(3,2-e)-1,2,4-triazolo(4,3-c)pyrimidineRefChem:311561DTXSID701132087CCG-2540793-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e]-[1,2,4]triazolo[4,3-c]pyrimidine3-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Database identifiers
- CAS
40277-37-0- PubChem CID
- 736290
- DTXSID
DTXSID701132087
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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