Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride
Basic information
- CAS
40284-13-7- Standard SMILES
NC(CS)=[NH+]CCC[NH+]1CCOCC1.[Cl-].[Cl-]- InChIKey
FXIHTBJWEKIXHE-UHFFFAOYSA-N- Molecular formula
- C9H21Cl2N3OS
- Average molar mass
- 290.25 g/mol
- Monoisotopic mass
- 289.0782389
Names & identifiers
- Preferred name
- Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride
- IUPAC
- (1-amino-2-sulfanylethylidene)-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride
Names & synonyms
Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride2-Mercapto-N-(3-morpholinopropyl)acetamidine dihydrochloride40284-13-7RefChem:315636
Database identifiers
- CAS
40284-13-7- PubChem CID
- 38425
Properties
Computed structural properties
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
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Compound notes
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