Benzylthiourea
PubChem CID: 737375
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| Compound Synonyms | Benzylthiourea, 621-83-0, 1-benzylthiourea, 1-Benzyl-2-thiourea, N-Benzylthiourea, Thiourea, (phenylmethyl)-, Urea, 1-benzyl-2-thio-, MRP6Y7412K, EINECS 210-709-9, MFCD00041370, NSC 15510, NSC-15510, CHEMBL1087841, DTXSID40211158, THIOUREA, N-(PHENYLMETHYL)-, UNII-MRP6Y7412K, Carpasemine, Benzylthioharnstoff, N-benzyl thiourea, benzyl-2-thiourea, Amino[benzylamino]methane-1-thione, 9BE, N-Benzylthiourea #, benzylthiouronium chloride, SCHEMBL133802, DTXCID40133649, Thiourea, (phenylmethyl)-(9CI), Urea, 1-benzyl-2-thio-(8CI), HMS1724A04, NSC15510, STR05661, BDBM50356170, STL301850, AKOS000120851, FB61311, AC-17452, SY049909, B4612, NS00034953, EN300-17270, D85863, Q27284198, Z56900892, F0001-1655, 210-709-9 |
|---|---|
| Topological Polar Surface Area | 70.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | UCGFRIAOVLXVKL-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | Benzylthiourea |
| Description | Carpasemine, also known as 1-benzylthiourea or benzylthiouronium chloride, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Carpasemine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carpasemine can be found in papaya, which makes carpasemine a potential biomarker for the consumption of this food product. |
| Exact Mass | 166.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.056 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 166.25 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzylthiourea |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H10N2S/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) |
| Smiles | C1=CC=C(C=C1)CNC(=S)N |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H10N2S |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all