Basic information
- CAS
76267-22-6- Standard SMILES
CCN(C(N)=O)C(=O)NC1(C)CC=CS1- InChIKey
AOTBWERKEVGHJW-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.0884979
Names & identifiers
- Preferred name
- Imidodicarbonic diamide, N-ethyl-2-methyl-N'-2-thienyl-
- IUPAC
- 1-carbamoyl-1-ethyl-3-(2-methyl-3H-thiophen-2-yl)urea
- English name
- 1-Ethyl-3-methyl-5-(2-thienyl)biuret
- Molecular formula
- C9H13N3O2S
- Molecular weight
- 227.28
Names & synonyms
76267-22-6Imidodicarbonic diamide, N-ethyl-2-methyl-N'-2-thienyl-RefChem:10872511-Ethyl-3-methyl-5-(2-thienyl)biuretN-Ethyl-2-methyl-N'-2-thienylimidodicarbonic diamideDTXSID00997608N-Ethyl-N-(2-methyl-2,3-dihydrothiophen-2-yl)triimidodicarbonic acid
Database identifiers
- CAS
76267-22-6- PubChem CID
- 3059258
- DTXSID
DTXSID00997608
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 13.74 · 13.74±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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