In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 5 | No |
Popular Name: 2-(Methylthio)ethanol 2-(Methylthio)ethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5271-38-5 , [5271-38-5]
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.21 | 0.01 | -3.12 | 1 | 1 | 0 | 20 | 92.163 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 169 - 171 | Acros Organics |
Boiling_Point | 169-171? | Alfa-Aesar |
Boiling_Point | 169-171° | Alfa-Aesar |
BP | 81 / 30 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 99% | Fluorochem |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
UniProt Database Links | INMT_HUMAN; INMT_MOUSE; INMT_PONAB; INMT_RABIT | ChEBI |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
Reactome Database Links | REACT_6752 | ChEBI |
Hazard | XN: Harmful | Acros Organics |
Description | Species |
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Methylation |
No pre-computed analogs available. Try a structural similarity search.