[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
Basic information
- CAS
1055-86-3- Standard SMILES
CC1=CC(C)(C)NC(=S)N1c1ccc2nc(SC(=S)N3CCOCC3)sc2c1- InChIKey
PYNFEQSOPNSTPN-UHFFFAOYSA-N- Molecular formula
- C19H22N4OS4
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.06764603
Names & identifiers
- Preferred name
- [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
- IUPAC
- [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
Names & synonyms
1055-86-3NSC67507[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioateDTXSID00405415NSC-675076-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)-1,3-benzothiazol-2-yl morpholine-4-carbodithioate
Database identifiers
- CAS
1055-86-3- PubChem CID
- 4671817
- DTXSID
DTXSID00405415
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 664
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Compound notes
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