Basic information
- CAS
95882-71-6- Standard SMILES
CCC(C)c1cc(NC(=O)N(C)OC)sn1- InChIKey
PKUYQLJYVBJSJS-UHFFFAOYSA-N- Molecular formula
- C10H17N3O2S
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.10414797
Names & identifiers
- Preferred name
- Urea, N-methoxy-N-methyl-N'-(3-(1-methylpropyl)-5-isothiazolyl)-
- IUPAC
- 3-(3-butan-2-yl-1,2-thiazol-5-yl)-1-methoxy-1-methylurea
Names & synonyms
95882-71-6N-Methoxy-N-methyl-N'-(3-sec-butyl-5-isothiazolyl)ureaUrea, N-methoxy-N-methyl-N'-(3-(1-methylpropyl)-5-isothiazolyl)-RefChem:388146SCHEMBL11118646DTXSID90914763N'-[3-(Butan-2-yl)-1,2-thiazol-5-yl]-N-methoxy-N-methylurea
Database identifiers
- CAS
95882-71-6- PubChem CID
- 175653
- DTXSID
DTXSID90914763
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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