ESI
Summary
| Name: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE |
| Formula: | C9 H8 I N2 S |
| Formal charge: | 1 |
| Formula weight: | 303.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | amino(4-iodo-1-benzothiophen-2-yl)methaniminium |
| OpenEye OEToolkits | 1.5.0 | [amino-(4-iodo-1-benzothiophen-2-yl)methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cccc2sc(cc12)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1sc2cccc(I)c2c1 |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1sc2cccc(I)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I |
| InChI | InChI | 1.03 | InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1 |
| InChIKey | InChI | 1.03 | YERQOXAYAFWFEJ-UHFFFAOYSA-O |
