Stk034174
Basic information
- CAS
457-82-9- Standard SMILES
Fc1ccc(NC(=S)Nc2nccs2)cc1- InChIKey
ZFAMDCCGNXBKRF-UHFFFAOYSA-N- Molecular formula
- C10H8FN3S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.01436778
Names & identifiers
- Preferred name
- Stk034174
- IUPAC
- 1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thiourea
- English name
- Thiourea, N-(4-fluorophenyl)-N'-2-thiazolyl-
- Molecular formula
- C10H8FN3S2
- Molecular weight
- 253.32
Names & synonyms
457-82-9STK034174DTXSID20354436RefChem:382068DTXCID503054961-(4-Fluorophenyl)-3-(thiazol-2-yl)thiourea1-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)thioureaThiourea, N-(4-fluorophenyl)-N'-2-thiazolyl-WAY-301187MLS000856098SMR0002828431-(4-fluorophenyl)-3-thiazol-2-yl-thiourea
Show more names
(Z)-N-(4-fluorophenyl)-N'-(1,3-thiazol-2-yl)carbamimidothioic acidHMS2694H04BAS 01175967cid_773605CHEMBL1525546BDBM49862MFCD01613245AKOS000531327
Database identifiers
- CAS
457-82-9- PubChem CID
- 773605
- DTXSID
DTXSID20354436- ChEMBL
CHEMBL1525546
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Solubility14.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 368.6 · 368.6±44.0 °C(Predicted)
- Density
- 1.538 · 1.538±0.06 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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