Basic information
- CAS
105858-89-7- Standard SMILES
CCOc1ccc(N=C(CSC(=S)N(CC)CC)Nc2ccccc2)cc1- InChIKey
VBOBICYJIZDBSY-UHFFFAOYSA-N- Molecular formula
- C21H27N3OS2
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 401.15955484
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl ester
- IUPAC
- [2-anilino-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
- English name
- CARBAMODITHIOIC ACID, DIETHYL-, 2-((4-ETHOXYPHENYL)AMINO)-2-(PHENYLIMI NO)ETHYL E
- Molecular formula
- C21H27N3OS2
- Molecular weight
- 401.59
Names & synonyms
105858-89-7Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl esterRefChem:1081010BRN 5990823[2-anilino-2-(4-ethoxyphenyl)iminoethyl] N,N-diethylcarbamodithioateDiethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-(phenylimino)ethyl esterCHEMBL163517DTXSID90909770CARBAMODITHIOIC ACID, DIETHYL-, 2-((4-ETHOXYPHENYL)AMINO)-2-(PHENYLIMI NO)ETHYL E2-(4-Ethoxyanilino)-2-(phenylimino)ethyl diethylcarbamodithioateCarbamodithioic acid, diethyl-, 2-[(4-ethoxyphenyl)amino]-2-(phenylimino)ethyl ester (9CI)
Database identifiers
- CAS
105858-89-7- PubChem CID
- 60033
- DTXSID
DTXSID90909770- ChEMBL
CHEMBL163517
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 454
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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