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 |