1-Anilino-6-phenyl-2,5-dithiobiurea
Basic information
- CAS
52147-62-3- Standard SMILES
S=C(NNC(=S)Nc1ccccc1)NNc1ccccc1- InChIKey
LYRPYOCEWWWKIH-UHFFFAOYSA-N- Molecular formula
- C14H15N5S2
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.07688785
Names & identifiers
- Preferred name
- 1-Anilino-6-phenyl-2,5-dithiobiurea
- IUPAC
- 1-anilino-3-(phenylcarbamothioylamino)thiourea
- English name
- 1-Anilino-6-phenyl-2,5-dithiobiurea
- Molecular formula
- C14H15N5S2
- Molecular weight
- 317.4324
Names & synonyms
1-ANILINO-6-PHENYL-2,5-DITHIOBIUREARefChem:42946152147-62-3653-731-8AKOS024333748
Database identifiers
- CAS
52147-62-3- PubChem CID
- 4200705
- EC Number
- 653-731-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…