UCSF

ZINC04097550

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 5 No

Popular Name: DiMethyl Trisulfide DiMethyl Trisulfide

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CAS Numbers: 3658-80-8 , [3658-80-8]

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) 1.84 6.22 -2.47 0 0 0 0 126.271 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 68 TCI
Boiling_Point 165-175? Alfa-Aesar
Boiling_Point 165-175° Alfa-Aesar
BP 170 TCI
BP [°C] 41 (p=6 torr) Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/22: Harmful by inhalation and if swallowed.; R36/38: Irritating to eyes and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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