Basic information
- CAS
7478-44-6- Standard SMILES
COc1ccccc1N=C(N)SCCSC(N)=Nc1ccccc1OC- InChIKey
OBMBLQKTDYBRLY-UHFFFAOYSA-N- Molecular formula
- C18H22N4O2S2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.1184183
Names & identifiers
- Preferred name
- 2-[N'-(2-methoxyphenyl)carbamimidoyl]sulfanylethyl N'-(2-methoxyphenyl)carbamimidothioate
- IUPAC
- 2-[N'-(2-methoxyphenyl)carbamimidoyl]sulfanylethyl N'-(2-methoxyphenyl)carbamimidothioate
Names & synonyms
7478-44-6DTXSID90331254AG-G-97598Ethane-1,2-diyl bis[N'-(2-methoxyphenyl)carbamimidothioate]
Database identifiers
- CAS
7478-44-6- PubChem CID
- 436748
- DTXSID
DTXSID90331254
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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