3-[[3-Propan-2-yloxypropyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione
Basic information
- CAS
63304-37-0- Standard SMILES
CC(C)OCCCN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21- InChIKey
MHDYOSNDPQKEES-UHFFFAOYSA-N- Molecular formula
- C22H25N3OS4
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 475.08804712
Names & identifiers
- Preferred name
- 3-[[3-Propan-2-yloxypropyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione
- IUPAC
- 3-[[3-propan-2-yloxypropyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thione
Names & synonyms
63304-37-0NSC3273143-[[3-propan-2-yloxypropyl-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]amino]methyl]-1,3-benzothiazole-2-thioneDTXSID90318207NSC-327314DS-0140253,3'-[({3-[(Propan-2-yl)oxy]propyl}azanediyl)bis(methylene)]di(1,3-benzothiazole-2(3H)-thione)3-[[3-Propan-2-yloxypropyl-[(2-sulfanylidenebenzothiazol-3-yl)methyl]amino]methyl]benzothiazole-2-thione
Database identifiers
- CAS
63304-37-0- PubChem CID
- 331933
- DTXSID
DTXSID90318207
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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