4MT
Summary
| Name: | N-[2-(4-hydroxyphenyl)ethyl]thioformamide |
| Synonyms: | N-(4-hydroxyphenethyl)methanethioamide |
| Formula: | C9 H11 N O S |
| Formal charge: | 0 |
| Formula weight: | 181.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(4-hydroxyphenyl)ethyl]thioformamide |
| OpenEye OEToolkits | 1.7.6 | N-[2-(4-hydroxyphenyl)ethyl]methanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=CNCCc1ccc(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H11NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,7,11H,5-6H2,(H,10,12) |
| InChIKey | InChI | 1.03 | LFGRKYYKQLXUDG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCNC=S)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CCNC=S)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNC=S)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNC=S)O |
