Basic information
- CAS
761340-77-6- Standard SMILES
CCCOc1ccc(CC(=O)OC)cc1CSC(=N)N- InChIKey
YEQUHFBSERPHCP-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3S
- Average molar mass
- 296.39 g/mol
- Monoisotopic mass
- 296.11946368
Names & identifiers
- Preferred name
- 9W3AD55Hse
- IUPAC
- methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-propoxyphenyl]acetate
Names & synonyms
9W3AD55HSE761340-77-6Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetateBenzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester
Database identifiers
- CAS
761340-77-6- PubChem CID
- 39108
- UNII
- 9W3AD55HSE
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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