Basic information
- CAS
401591-24-0- Standard SMILES
S=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1- InChIKey
BVLFPFMXDKLPGY-UHFFFAOYSA-N- Molecular formula
- C14H12N4S
- Average molar mass
- 268.34 g/mol
- Monoisotopic mass
- 268.07826757
Names & identifiers
- Preferred name
- 1-(1H-indazol-6-yl)-3-phenylthiourea
- IUPAC
- 1-(1H-indazol-6-yl)-3-phenylthiourea
Names & synonyms
1-(1H-indazol-6-yl)-3-phenylthioureaMLS000516600SMR0003426971-(1H-indazol-6-yl)-3-phenyl-thioureaOprea1_249236CHEMBL1403668BDBM67624cid_2396745REGID_for_CID_2396745DTXSID101333611AKOS001042749N-1H-Indazol-6-yl-N'-phenylthiourea
Show more names
401591-24-0ST51025514(1H-indazol-6-ylamino)(phenylamino)methane-1-thioneZ45831982
Database identifiers
- CAS
401591-24-0- PubChem CID
- 2396745
- DTXSID
DTXSID101333611- ChEMBL
CHEMBL1403668
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Solubility29.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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