UCSF

ZINC01646849

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Popular Name: Di-tert-butyl disulfide Di-tert-butyl disulfide

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CAS Numbers: 110-06-5 , 6/5/110

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) 3.71 2.49 -2.65 0 0 0 0 178.366 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 5 Acros Organics
BP [°C] 198 - 204 Acros Organics
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
BP 84 / 20.3 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H336: May cause drowsiness or dizziness; H304: May be fatal if swallowed and enters airways Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P312: Call a POISON CENTER or doctor/physician if you feel unwell; 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 prot Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R65: Harmful: may cause lung damage if swallowed.; R67: Vapours may cause drowsiness and dizziness. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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