4-Isoquinolinecarbonitrile, 2,3-diamino-1,2,5,6,7,8-hexahydro-1-thioxo-
Basic information
- CAS
50706-67-7- Standard SMILES
N#Cc1c2c(c(=S)n(N)c1N)CCCC2- InChIKey
YUDMVOZDGNWMAH-UHFFFAOYSA-N- Molecular formula
- C10H12N4S
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.07826757
Names & identifiers
- Preferred name
- 4-Isoquinolinecarbonitrile, 2,3-diamino-1,2,5,6,7,8-hexahydro-1-thioxo-
- IUPAC
- 2,3-diamino-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Names & synonyms
50706-67-7DTXSID703655324-Isoquinolinecarbonitrile, 2,3-diamino-1,2,5,6,7,8-hexahydro-1-thioxo-RefChem:293637DTXCID003165722,3-diamino-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrileYUDMVOZDGNWMAH-UHFFFAOYSA-NSTK830656AKOS000509717Isoquinoline-4-carbonitrile, 2,3-diamino-1-thioxo-1,2,5,6,7,8-hexahydro-2,3-Diamino-1-sulfanylidene-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Database identifiers
- CAS
50706-67-7- PubChem CID
- 1901079
- DTXSID
DTXSID70365532
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 438
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…