Basic information
- CAS
15798-68-2- Standard SMILES
CCOc1ccc(N2CSC(=S)N(c3ccc(OCC)cc3)C2)cc1- InChIKey
DYMYAZDZGJDFMD-UHFFFAOYSA-N- Molecular formula
- C19H22N2O2S2
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.1122703
Overview
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Names & identifiers
- Preferred name
- 3,5-Bis(4-ethoxyphenyl)-1,3,5-thiadiazinane-2-thione
- IUPAC
- 3,5-bis(4-ethoxyphenyl)-1,3,5-thiadiazinane-2-thione
- English name
- 3,5-Bis-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazine-2-thione
- Molecular formula
- C19H22N2O2S2
- Molecular weight
- 374.52
Names & synonyms
3,5-bis(4-ethoxyphenyl)-1,3,5-thiadiazinane-2-thione15798-68-23,5-di(4-ethoxyphenyl)-1,3,5-thiadiazinane-2-thioneNSC166027Maybridge4_003661Oprea1_219737MLS000861634CHEMBL1563966DTXSID70304507HMS1531G09HMS2783D03AKOS024430191
Show more names
2H-1,3,5-Thiadiazine-2-thione, 3,5-bis(4-ethoxyphenyl)tetrahydro-3,5-Bis-(4-ethoxyphenyl)-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazine-2-thione
CCG-237049NSC-166027SMR000460418BRD-K03428675-001-01-7BRD-K03428675-001-09-0
Database identifiers
- CAS
15798-68-2- PubChem CID
- 296157
- DTXSID
DTXSID70304507- ChEMBL
CHEMBL1563966
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 543.9 · 543.9±60.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
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Compound notes
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