Basic information
- CAS
81622-91-5- Standard SMILES
Cc1cn2c(n1)Nc1sc3c(c1C2)CCCC3- InChIKey
XEACFKMRYIASEC-UHFFFAOYSA-N- Molecular formula
- C13H15N3S
- Average molar mass
- 245.35 g/mol
- Monoisotopic mass
- 245.09866866
Names & identifiers
- Preferred name
- 2-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidine
- IUPAC
- 13-methyl-8-thia-10,12,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraene
Names & synonyms
81622-91-52-Methyl-5,6,7,8,9,11-hexahydro(1)benzothieno(2,3-d)imidazo(1,2-a)pyrimidineNSC 366881NSC3668812-Methyl-5,6,7,8,9,11-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidineUBP4G6PPB9DTXSID10231227DS-004250[1]Benzothieno[2,3-d]imidazo[1,2-a]pyrimidine, 5,6,7,8,9,11-hexahydro-2-methyl-2-Methyl-1,5,6,7,8,9-hexahydro[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidine5,6,7,8,9,11-Hexahydro-2-methyl[1]benzothieno[2,3-d]imidazo[1,2-a]pyrimidine13-methyl-8-thia-10,12,15-triazatetracyclo[7.7.0.0{2,7}.0{11,15}]hexadeca-1(9),2(7),11,13-tetraene
Show more names
81622-92-6
Database identifiers
- CAS
81622-91-5、81622-92-6- PubChem CID
- 435283
- DTXSID
DTXSID10231227
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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