Basic information
- CAS
14318-36-6- Standard SMILES
S=C1SCN(c2ccccc2)CN1c1ccccc1- InChIKey
KBPSVLPWPIBVDP-UHFFFAOYSA-N- Molecular formula
- C15H14N2S2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.0598408
Names & identifiers
- Preferred name
- 3,5-Diphenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazine-2-thione
- IUPAC
- 3,5-diphenyl-1,3,5-thiadiazinane-2-thione
- English name
- 3,5-Diphenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazine-2-thione
- Molecular formula
- C15H14N2S2
- Molecular weight
- 286.42
Names & synonyms
3,5-DIPHENYL-3,4,5,6-TETRAHYDRO-2H-1,3,5-THIADIAZINE-2-THIONERefChem:487085653-736-53,5-diphenyl-1,3,5-thiadiazinane-2-thione14318-36-6NSC13519SCHEMBL285666782H-1,3,5-Thiadiazine-2-thione,tetrahydro-3,5-diphenyl-DTXSID60279634NSC-13519AKOS024333824DS-013261
Show more names
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diphenyl-
Database identifiers
- CAS
14318-36-6- PubChem CID
- 224754
- DTXSID
DTXSID60279634- EC Number
- 653-736-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 183 · 183-185 °C(Solv: chloroform (67-66-3); ethanol (64-17-5))
- Boiling point
- 442.4 · 442.4±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 0.44 · 0.44±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
0 records
No reaction records under the current filter.
Compound notes
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