Basic information
- CAS
154628-42-9- Standard SMILES
N=C(N)c1cc2c(I)cccc2s1- InChIKey
YERQOXAYAFWFEJ-UHFFFAOYSA-N- Molecular formula
- C9H7IN2S
- Average molar mass
- 302.14 g/mol
- Monoisotopic mass
- 301.93747
Names & identifiers
- Preferred name
- B-428
- IUPAC
- 4-iodo-1-benzothiophene-2-carboximidamide
Names & synonyms
B-428B428B 428RefChem:9166334-iodo-1-benzothiophene-2-carboximidamide154628-42-9APC-68601c5xBenzo[b]thiophene-2-carboximidamide, 4-iodo-4-iodobenzo[b]thiophene-2-carboximidamideCHEMBL600881c5n
Show more names
1c5q1o5bQZT7G76BRK2-amidino-4-iodobenzothiopheneorb1691620SCHEMBL4312886DTXSID40274329BDBM50098137
Database identifiers
- CAS
154628-42-9- PubChem CID
- 1747
- DTXSID
DTXSID40274329- ChEMBL
CHEMBL60088- UNII
- QZT7G76BRK
- Nikkaji
- J543.773C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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