HT4
Summary
Name: | 4-methyl-2-sulfanylphenol |
Formula: | C7 H8 O S |
Formal charge: | 0 |
Formula weight: | 140.203 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-methyl-2-sulfanylphenol |
OpenEye OEToolkits | 1.7.6 | 4-methyl-2-sulfanyl-phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1S)C |
InChI | InChI | 1.03 | InChI=1S/C7H8OS/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 |
InChIKey | InChI | 1.03 | GWMWXFGQYATKBA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)c(S)c1 |
SMILES | CACTVS | 3.385 | Cc1ccc(O)c(S)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)S)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)S)O |