Methylthiohydantoin
Basic information
- CAS
694-68-8- Standard SMILES
CN1C(=O)CNC1=S- InChIKey
MEJHYNPOIFOIIU-UHFFFAOYSA-N- Molecular formula
- C4H6N2OS
- Average molar mass
- 130.17 g/mol
- Monoisotopic mass
- 130.02008399
Names & identifiers
- Preferred name
- Methylthiohydantoin
- IUPAC
- 3-methyl-2-sulfanylideneimidazolidin-4-one
- English name
- Mth-glycine
- Molecular formula
- C4H6N2OS
- Molecular weight
- 130.17
Names & synonyms
694-68-8Methylthiohydantoin3-Methyl-2-thioxo-4-imidazolidinone3-methyl-2-thiohydantionRefChem:1583343-methyl-2-thioxoimidazolidin-4-oneMTH-GLYCINE3-methyl-2-sulfanylideneimidazolidin-4-oneMFCD000384252-Mercapto-3-methyl-3,5-dihydro-imidazol-4-one3-methyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one3-methyl-2-thioxo-imidazolidin-4-one
Show more names
4-IMidazolidinone, 3-Methyl-2-thioxo-MTH-Glycine Methylthiohydantoin-glycine
3-methyl-2-thioxo-1,3-diazolidin-4-one3-methyl-2-thiohydantoinSCHEMBL281591-methyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-oneSCHEMBL12706777DTXSID50989215SMSSF-0050515AAA69468
Database identifiers
- CAS
694-68-8- PubChem CID
- 3037576
- DTXSID
DTXSID50989215- EC Number
- 189-972-6
- Nikkaji
- J796.314I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 214 · 214-215 °C(Solv: water (7732-18-5))
- Boiling point
- 176.8 · 176.8±23.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 9.47 · 9.47±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H340-H350
- Precautionary statements
- 501 · P501-P260-P270-P202-P201-P271-P264-P280-P308+P313-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
- WGK Germany
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
- wgk
- 3
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- Hazard statements
- H302+H312+H332-H314-H340-H350
- Precautionary statements
- P501-P260-P270-P202-P201-P271-P264-P280-P308+P313-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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