Basic information
- CAS
122033-01-6- Standard SMILES
Nc1ccc2c(c1)-n1cnnc1-c1ccccc1S2- InChIKey
CODICMXJADBLMH-UHFFFAOYSA-N- Molecular formula
- C14H10N4S
- Average molar mass
- 266.32 g/mol
- Monoisotopic mass
- 266.06261751
Names & identifiers
- Preferred name
- Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepin-6-amine
- IUPAC
- 13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-17-amine
- English name
- Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepin-6-amine
- Molecular formula
- C14H10N4S
- Molecular weight
- 266.32
Names & synonyms
122033-01-6Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepin-6-amineBRN 55714538-Amino-(1,2,4)-triazolo(4,3-d)(b,e)-1,4-dibenzothiazepineDTXSID80153482RefChem:337131DTXCID7075973Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepin-6-amine13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-17-amine
Database identifiers
- CAS
122033-01-6- PubChem CID
- 3078638
- DTXSID
DTXSID80153482
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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