UCSF

ZINC03127430

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 11 No

Popular Name: N-(2-methylphenyl)thiourea N-(2-methylphenyl)thiourea

Find On: PubMed — Wikipedia — Google

CAS Numbers: 614-78-8 , [614-78-8]

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) 1.38 4.25 -12.31 3 2 0 38 166.249 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 155-158? Alfa-Aesar
Melting_Point 155-158° Alfa-Aesar
MP 158-161° Matrix Scientific
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
MP 161 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0392317A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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