| CAS Number | 3020-65-3 |
| Catalog Number | AG00J16X(AGN-PC-0R5LMJ) |
| Chemical Name | 1H-benzimidazol-2-ylmethanethiol hydrochloride |
| IUPAC Name | 1H-benzimidazol-2-ylmethanethiol;hydrochloride |
| InChI | InChI=1S/C8H8N2S.ClH/c11-5-8-9-6-3-1-2-4-7(6)10-8;/h1-4,11H,5H2,(H,9,10);1H |
| InChI Key | NWPIECKMWKEZHZ-UHFFFAOYSA-N |
| MDL Number | MFCD09240592 |
| Molecular Formula | C8H9ClN2S |
| Molecular Weight | 200.6885 |
| SMILES | N1C2C=CC=CC=2NC=1CS.Cl |
| Synonyms | 1H-Benzimidazol-2-ylmethanethiol hydrochloride,
3020-65-3,
ZX-CM003200,
MFCD09240592,
AKOS022201540,
EN300-79176,
(1H-benzo[d]imidazol-2-yl)methanethiol hydrochlor,
4009529-25G,
F2101-0063,
1H-Benzimidazol-2-ylmethanethiol hydrochloride, AldrichCPR,
4344-85-8,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.684g/mol |
| Monoisotopic Mass | 200.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number