5-(2-(Methylthio)ethyl)-2,4-imidazolidinedione
Basic information
- CAS
13253-44-6- Standard SMILES
CSCCC1NC(=O)NC1=O- InChIKey
SBKRXUMXMKBCLD-UHFFFAOYSA-N- Molecular formula
- C6H10N2O2S
- Average molar mass
- 174.22 g/mol
- Monoisotopic mass
- 174.04629874
Names & identifiers
- Preferred name
- 5-(2-(Methylthio)ethyl)-2,4-imidazolidinedione
- IUPAC
- 5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
- English name
- 5-(2-Methylthioethyl)hydantoin
- Molecular formula
- C6H10N2O2S
- Molecular weight
- 174.22
Names & synonyms
13253-44-62,4-Imidazolidinedione, 5-[2-(methylthio)ethyl]-DTXSID608845855-(2-(Methylthio)ethyl)-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-(2-(methylthio)ethyl)-RefChem:1072366DTXCID2010240195-[2-(Methylthio)ethyl]hydantoin5-(2-(Methylthio)ethyl)imidazolidine-2,4-dione5-(2-Methylsulfanyl-ethyl)-imidazolidine-2,4-dione5-[2-(methylsulfanyl)ethyl]imidazolidine-2,4-dioneMFCD00143392
Show more names
methylthioethylhydantoincp93520methioninehydantoin5-(2-(methylthio)ethyl)-hydantoi5-(beta-(methylthio)ethyl)hydantoindl-5-(2-(methylthio)ethyl)hydantoin5-[2-(Methylthio)ethyl]hydantoin>(5R)-5-[2-(methylthio)ethyl]hydantoin5-[2-(METHYLTHIO)ETHYL]HYDANTOIN 99+%
5-(2-methylsulfanylethyl)imidazolidine-2,4-dioneMaybridge4_0009635-[2-(methylthio)ethyl]imidazolidine-2,4-dioneMLS000055329HMS1523L17SMR000061888M1046SR-01000604994-2
Database identifiers
- CAS
13253-44-6- PubChem CID
- 567982
- DTXSID
DTXSID60884585- ChEMBL
CHEMBL1344624- EC Number
- 236-238-9
- Nikkaji
- J26.496B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 108 °C · 108°C
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 13253 · 13253-44-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2,4-Imidazolidinedione, 5-[2-(methylthio)ethyl]- (13253-44-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Safety Statements
- 22 · 22-24/25
- RTECS
- 9461351 · NI9461351
- TSCA
- TSCA listed
- HS Code
- 2933.21 · 2933.21.0000
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- NI9461351
- hs_code
- 2933.21.0000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Imidazolidinedione, 5-[2-(methylthio)ethyl]-: ACTIVE
Applications
Uses5-[2-(Methylthio)ethyl]hydantoin is a reagent used in L-amino acid production.
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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