| CAS Number | 69104-73-0 |
| Catalog Number | AG006CT6(AGN-PC-0KFY3P) |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline |
| IUPAC Name | 2-(1H-benzimidazol-2-ylsulfanyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H11N3S.ClH/c14-9-5-1-4-8-12(9)17-13-15-10-6-2-3-7-11(10)16-13;/h1-8H,14H2,(H,15,16);1H |
| InChI Key | QKUCHIOJLGVHCP-UHFFFAOYSA-N |
| MDL Number | MFCD07285876 |
| Molecular Formula | C13H11N3S |
| Molecular Weight | 241.3115 |
| SMILES | NC1=C(SC2NC3=C(C=CC=C3)N=2)C=CC=C1 |
| Synonyms | 2-(1H-benzimidazol-2-ylthio)aniline hydrochloride,
69104-73-0,
EN300-06509,
2-((1H-Benzo[d]imidazol-2-yl)thio)aniline hydrochloride,
2-(1H-1,3-benzodiazol-2-ylsulfanyl)aniline hydrochloride,
MLS000770492,
SMR000343719,
AC1Q3CXB,
CHEMBL1341945,
CTK8F3506,
DTXSID70583279,
AKOS008029945,
MCULE-1727716126,
SR-01000047682,
SR-01000047682-1,
Z56948292,
2-[(1H-Benzimidazol-2-yl)sulfanyl]aniline--hydrogen chloride (1/1),
1052528-75-2,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.77g/mol |
| Monoisotopic Mass | 277.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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