| CAS Number | 1221723-93-8 |
| Catalog Number | AG01A85L |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-ylsulfanyl)pyridine-4-carboximidamide hydrochloride |
| IUPAC Name | 2-(1H-benzimidazol-2-ylsulfanyl)pyridine-4-carboximidamide;hydrochloride |
| InChI | InChI=1S/C13H11N5S.ClH/c14-12(15)8-5-6-16-11(7-8)19-13-17-9-3-1-2-4-10(9)18-13;/h1-7H,(H3,14,15)(H,17,18);1H |
| InChI Key | KPWRXROBPCYAGC-UHFFFAOYSA-N |
| MDL Number | MFCD15209631 |
| Molecular Formula | C13H12ClN5S |
| Molecular Weight | 305.7859 |
| SMILES | Cl.NC(C1=CC(SC2NC3=C(C=CC=C3)N=2)=NC=C1)=N |
| Synonyms | 2-(1H-1,3-benzodiazol-2-ylsulfanyl)pyridine-4-carboximidamide hydrochloride,
EN300-60786,
1221723-93-8,
AC1Q3CQD,
CTK7D1975,
AKOS008111362,
MCULE-1124595210,
NE37240,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.784g/mol |
| Monoisotopic Mass | 305.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number