5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one
Basic information
- CAS
4370-90-5- Standard SMILES
CSCCC1NC(=S)N(c2ccccc2)C1=O- InChIKey
KALSXWPXUWRLOH-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.05475542
Names & identifiers
- Preferred name
- 5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one
- IUPAC
- 5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
- English name
- PTH-methionine
- Molecular formula
- C12H14N2OS2
- Molecular weight
- 266.38
Names & synonyms
5-(2-(Methylthio)ethyl)-3-phenyl-2-thioxoimidazolidin-4-one5-[2-(methylthio)ethyl]-3-phenyl-2-thioxoimidazolidin-4-oneRefChem:529220224-464-0Pth-methionine4370-90-5Phenylthiohydantoin-methionineMethionine phenylthiohydantoin5-(2-methylsulfanylethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-oneHydantoin, 5-(2-methylthioethyl)-3-phenyl-2-thio-5-[2-(methylsulfanyl)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-4-oneMFCD06858379
Show more names
PTH-DL-METHIONINEPTH-METHIONINE USP/EP/BPPTH-DL-Methionine StandardmethionylphenylthiohydantoinmethioninephenylthiohydantoinPhenylthiohydantoin-methionine>5-(2-methylthioethyl)-3-phenyl-2-thio-hydantoi
4-Imidazolidinone, 5-(2-(methylthio)ethyl)-3-phenyl-2-thioxo-4-Imidazolidinone, 5-[2-(methylthio)ethyl]-3-phenyl-2-thioxo-5-[2-(methylthio)ethyl]-3-phenyl-2-sulfanylidene-4-imidazolidinoneMethionyl phenylthiohydantoin5-[2-(Methylthio)ethyl]-3-phenyl-2-thiohydantoinEINECS 224-464-0MFCD00038433CBMicro_034720
Database identifiers
- CAS
4370-90-5- PubChem CID
- 2872023
- DTXSID
DTXSID80963104- EC Number
- 224-464-0
- Nikkaji
- J54.013G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 180 °C · 180°C
- Boiling point
- 384.2 · 384.2±34.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 10.85 · 10.85±0.40(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
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, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- MU2700000
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933.21.0000
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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