Basic information
- CAS
891373-84-5- Standard SMILES
Cc1ccc(OCC(=O)NNC(=S)NC2CCCCC2)c(C)c1- InChIKey
IBPOFVSSJMLRBW-UHFFFAOYSA-N- Molecular formula
- C17H25N3O2S
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.16674822
Names & identifiers
- Preferred name
- 1-(2-(2,4-Dimethylphenoxy)acetyl)-4-cyclohexylthiosemicarbazide
- IUPAC
- 1-cyclohexyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]thiourea
- English name
- 1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-CYCLOHEXYLTHIOSEMICARBAZIDE
- Molecular formula
- C17H25N3O2S
- Molecular weight
- 335.46
Names & synonyms
891373-84-51-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-CYCLOHEXYLTHIOSEMICARBAZIDE1-cyclohexyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]thioureaMFCD00171089RKB37384AKOS022169884MS-8807N-[(cyclohexylcarbamothioyl)amino]-2-(2,4-dimethylphenoxy)acetamideAcetic acid, 2-(2,4-dimethylphenoxy)-, 2-[(cyclohexylamino)thioxomethyl]hydrazide
Database identifiers
- CAS
891373-84-5- PubChem CID
- 4464421
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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