N-[(4-Methylphenyl)methyl]-N'-prop-2-en-1-ylthiourea
Basic information
- CAS
65608-90-4- Standard SMILES
C=CCNC(=S)NCc1ccc(C)cc1- InChIKey
KIMUOBDIPRSFTC-UHFFFAOYSA-N- Molecular formula
- C12H16N2S
- Average molar mass
- 220.34 g/mol
- Monoisotopic mass
- 220.10341969
Names & identifiers
- Preferred name
- N-[(4-Methylphenyl)methyl]-N'-prop-2-en-1-ylthiourea
- IUPAC
- 1-[(4-methylphenyl)methyl]-3-prop-2-enylthiourea
Names & synonyms
65608-90-4NSC204405N-[(4-Methylphenyl)methyl]-N'-prop-2-en-1-ylthioureaDTXSID00396839AKOS003715046NSC-204405AB00041958-01N-[(4-Methylphenyl)methyl]-N'-(prop-2-en-1-yl)thiourea
Database identifiers
- CAS
65608-90-4- PubChem CID
- 3817852
- DTXSID
DTXSID00396839
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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