Guanidine, ((5-chlorobenzo(b)thien-2-yl)methyl)-, monohydriodide
Basic information
- CAS
22963-97-9- Standard SMILES
I.NC(N)=NCc1cc2cc(Cl)ccc2s1- InChIKey
YCLSYBQTVSATNF-UHFFFAOYSA-N- Molecular formula
- C10H11ClIN3S
- Average molar mass
- 367.64 g/mol
- Monoisotopic mass
- 366.94069
Names & identifiers
- Preferred name
- Guanidine, ((5-chlorobenzo(b)thien-2-yl)methyl)-, monohydriodide
- IUPAC
- 2-[(5-chloro-1-benzothiophen-2-yl)methyl]guanidine;hydroiodide
Names & synonyms
22963-97-9((5-Chlorobenzo(b)thien-2-yl)methyl)guanidine monohydriodideGuanidine, ((5-chlorobenzo(b)thien-2-yl)methyl)-, monohydriodideDTXSID10177510RefChem:346684DTXCID70100001N''-[(5-Chloro-1-benzothiophen-2-yl)methyl]guanidine--hydrogen iodide (1/1)
Database identifiers
- CAS
22963-97-9- PubChem CID
- 211388
- DTXSID
DTXSID10177510
Properties
Computed structural properties
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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