13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene
Basic information
- CAS
73112-18-2- Standard SMILES
Cc1c2sc3ccccc3[nH]c2nc2[nH]c3ccccc3sc12- InChIKey
QSACSVXLFRHXOZ-UHFFFAOYSA-N- Molecular formula
- C18H13N3S2
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.05508977
Names & identifiers
- Preferred name
- 13-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentacene
- IUPAC
- 13-methyl-11,15-dithia-2,4,22-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),5,7,9,13,16,18,20-nonaene
Names & synonyms
73112-18-213-Methyl-5H,7H-12,14-dithia-5,6,7-triaza-pentaceneB31DXH6BPCUNII-B31DXH6BPCNSC 342472NSC-342472DTXSID102233895H,6H-PYRIDO(3,2-B:5,6-B')BIS(1,4)BENZOTHIAZINE, 13-METHYL-5H,6H-Pyrido[3,2-b:5,6-b']bis[1,4]benzothiazine, 13-methyl-RefChem:78476DTXCID60145880NSC342472
Show more names
13-Methyl-5H,7H-dibenzo[e,e']pyrido[3,2-b:5,6-b']bis[1,4]thiazine
Database identifiers
- CAS
73112-18-2- PubChem CID
- 334947
- DTXSID
DTXSID10223389- UNII
- B31DXH6BPC
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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