Basic information
- CAS
2445-60-5- Standard SMILES
CN1CCCC1=CC=C1C(=O)N(C)C(=S)N1C- InChIKey
SXRPCRZFBUCPSR-UHFFFAOYSA-N- Molecular formula
- C12H17N3OS
- Average molar mass
- 251.35 g/mol
- Monoisotopic mass
- 251.10923335
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-one
- English name
- 1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-4-imidazolidinone
- Molecular formula
- C12H17N3OS
- Molecular weight
- 251.35
Names & synonyms
WAY-629545SCHEMBL67419191,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-4-imidazolidinone1,3-Dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thiohydantoin1,3-Dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxo-4-imidazolidinoneDTXSID501126537HMS3364K021,3-dimethyl-5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylideneimidazolidin-4-oneNS00047014Q271932631,3-dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-sulfanylidene-4-imidazolidinone1,3-dimethyl-5-((1-methyl-2-pyrrolidinyl-idene)et
Show more names
1,3-dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]t1,3-Dimethyl-5-[(1-methyl-2-pyrrolidinylidene)-ethylidene]-2-thioxoimidazol1,3-DIMETHYL-5-[2-(1-METHYL-2-PYRROLIDINYLIDENE)ETHYLIDENE]-2-THIOHYDANTOINE1,3-DIMETHYL-5-((1-METHYL-2-PYRROLIDINYL -IDENE)ETHYLIDENE)THIOXOIMIDAZOLIDINONE1,3-dimethyl-5-[(1-methyl-2-pyrrolidinylidene)ethylidene]-2-thioxoimidazolidine-4-one
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 197 · 197-201 °C(lit.)
- Boiling point
- 333.6 · 333.6±52.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 6.32 · 6.32±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- 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.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ORGANICA+49 3494636389 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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