UCSF

ZINC01577077

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 5 No

Popular Name: 2-(Methylthio)ethanol 2-(Methylthio)ethanol

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CAS Numbers: 5271-38-5 , [5271-38-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 ↓

Vendor Notes

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

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Methylation

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.