Basic information
- CAS
64020-23-1- Standard SMILES
CCOc1ccccc1NC(=S)NC1CCCCC1- InChIKey
CUUDOECMUOESMY-UHFFFAOYSA-N- Molecular formula
- C15H22N2OS
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.1452845
Overview
See also: 1-Cyclohexyl-3-(2-ethoxyphenyl)-2-thiourea (annotation moved to).
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-(2-ethoxyphenyl)thiourea
- IUPAC
- 1-cyclohexyl-3-(2-ethoxyphenyl)thiourea
- English name
- 1-cyclohexyl-3-(2-ethoxyphenyl)thiourea
- Molecular formula
- C15H22N2OS
- Molecular weight
- 278.41
Names & synonyms
1-cyclohexyl-3-(2-ethoxyphenyl)thiourea64020-23-1N-cyclohexyl-N'-(2-ethoxyphenyl)thioureaNSC205462Oprea1_587988MLS000679147SCHEMBL5444729CHEMBL1373689DTXSID00981961HMS2574J16STK144263AKOS002948976
Show more names
1-CYCLOHEXYL-3-(2-ETHOXYPHENYL)-2-THIOUREAThiourea, N-cyclohexyl-N'-(2-ethoxyphenyl)-
NSC-205462SMR000270087AB00114808-01N'-Cyclohexyl-N-(2-ethoxyphenyl)carbamimidothioic acid
Database identifiers
- CAS
64020-23-1- PubChem CID
- 797148
- DTXSID
DTXSID00981961- ChEMBL
CHEMBL1373689
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 394.8 · 394.8±44.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H315-H319-H335-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…