2-Amidinothio-N-(2-indol-3-ylethyl)ethanamide, hydrochloride
Basic information
- CAS
1274892-61-3- Standard SMILES
Cl.N=C(N)SCC(=O)NCCc1c[nH]c2ccccc12- InChIKey
NEJWPPBTAXTOFU-UHFFFAOYSA-N- Molecular formula
- C13H17ClN4OS
- Average molar mass
- 312.82 g/mol
- Monoisotopic mass
- 312.08116
Names & identifiers
- Preferred name
- 2-Amidinothio-N-(2-indol-3-ylethyl)ethanamide, hydrochloride
- IUPAC
- [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] carbamimidothioate;hydrochloride
Names & synonyms
1274892-61-32-AMIDINOTHIO-N-(2-INDOL-3-YLETHYL)ETHANAMIDE, HYDROCHLORIDEC13H17ClN4OSZAC89261AKOS0376548132-carbamimidoylsulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide;hydrochloride
Database identifiers
- CAS
1274892-61-3- PubChem CID
- 57366284
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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