In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 6 | No |
Popular Name: Tetrahydrothiophen-3-one Tetrahydrothiophen-3-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1003-04-9 , 4/9/1003 , [1003-04-9]
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) | 0.14 | 2.93 | -4.96 | 0 | 1 | 0 | 17 | 102.158 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 174 - 175 | Acros Organics |
Boiling_Point | 174-175? | Alfa-Aesar |
Boiling_Point | 174-175° | Alfa-Aesar |
BP | 175 | TCI |
MP | 52 - 54 | Enamine Building Blocks |
MP | 52...54 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.