UCSF

ZINC02577065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 6 No

Popular Name: 2-imidazolidinethione 2-imidazolidinethione

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CAS Numbers: 96-45-7 , [96-45-7]

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) -0.55 0.42 -14.84 2 2 0 24 102.162 0 ↓
Ref Reference (pH 7) 0.19 0.27 -12.6 2 2 0 26 102.162 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 0.979 Bitter DB
MP 197 - 200 Enamine Building Blocks
Mp [°C] 197 - 201 Acros Organics
MP 197...200 Enamine Building Blocks
MP 198 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H360D: May damage the unborn child Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R61: May cause harm to the unborn child. Acros Organics
R phrase R61: May cause harm to the unborn child.; R22: Harmful if swallowed. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Rings

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

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