2XO
Summary
| Name: | 1H-benzimidazol-2-ylmethanethiol |
| Formula: | C8 H8 N2 S |
| Formal charge: | 0 |
| Formula weight: | 164.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-benzimidazol-2-ylmethanethiol |
| OpenEye OEToolkits | 1.7.6 | 1H-benzimidazol-2-ylmethanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1ccccc1nc2CS |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | XGIDEUICZZXBFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | SCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)CS |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)CS |
