Basic information
- CAS
105858-95-5- Standard SMILES
CCOc1ccc(N=C(CSC(=S)N(CC)CC)Nc2ccc(OCC)cc2)cc1- InChIKey
MYFYXBKMVQWMLB-UHFFFAOYSA-N- Molecular formula
- C23H31N3O2S2
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.18576959
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-ethoxyphenyl)imino)ethyl ester
- IUPAC
- [2-(4-ethoxyanilino)-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
- English name
- Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-ethoxy phenyl)imino)ethyl ester
- Molecular weight
- 0
Names & synonyms
105858-95-5BRN 6007754Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-ethoxyphenyl)imino)ethyl esterDTXSID90147372Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-ethoxyphenyl)imino)ethyl esterRefChem:332832DTXCID7069863[2-(4-ethoxyanilino)-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioateCHEMBL163351Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-ethoxy phenyl)imino)ethyl ester(2E)-2-(4-Ethoxyanilino)-2-[(4-ethoxyphenyl)imino]ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-95-5- PubChem CID
- 60039
- DTXSID
DTXSID90147372- ChEMBL
CHEMBL163351
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…