N-Ethylimidazolidin-2-thione
Basic information
- CAS
29704-02-7- Standard SMILES
CCN1CCNC1=S- InChIKey
PVMURSYOQVEKJP-UHFFFAOYSA-N- Molecular formula
- C5H10N2S
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.0564695
Names & identifiers
- Preferred name
- N-Ethylimidazolidin-2-thione
- IUPAC
- 1-ethylimidazolidine-2-thione
- English name
- 2-Imidazolidinethione, 1-ethyl-
- Molecular formula
- C5H10N2S
- Molecular weight
- 130.21
Names & synonyms
29704-02-7N-Ethylimidazolidin-2-thioneDTXSID50183852RefChem:364048DTXCID901063431-ethylimidazolidine-2-thione2-Imidazolidinethione, 1-ethyl-N-Ethylimidazolidine-2-thioneMFCD192168101-ethyl-imidazolidine-2-thionSCHEMBL5666713SCHEMBL14093811
Show more names
PVMURSYOQVEKJP-UHFFFAOYSA-NSTL134843AKOS0057450671-ethyl-4,5-dihydroimidazole-2-thiolCS-0238766G48182EN300-2008046
Database identifiers
- CAS
29704-02-7- PubChem CID
- 3036348
- DTXSID
DTXSID50183852- Nikkaji
- J730.978C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 175.3 · 175.3±23.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.82 · 14.82±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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