Basic information
- CAS
15093-39-7- Standard SMILES
CC(C)(C)CNC(=S)Nc1ccccc1- InChIKey
RZMMJUHZNOIBNV-UHFFFAOYSA-N- Molecular formula
- C12H18N2S
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.11906976
Names & identifiers
- Preferred name
- Urea, 1-neopentyl-3-phenyl-2-thio-
- IUPAC
- 1-(2,2-dimethylpropyl)-3-phenylthiourea
- English name
- 1-Neopentyl-3-phenylthiourea
- Molecular formula
- C12H18N2S
- Molecular weight
- 222.35
Names & synonyms
Urea, 1-neopentyl-3-phenyl-2-thio-15093-39-7DTXSID50402959RefChem:193242DTXCID30353814RZMMJUHZNOIBNV-UHFFFAOYSA-N1-(2,2-dimethylpropyl)-3-phenylthioureaNSC131988SCHEMBL12203607N-Neopentyl-N'-phenylthiourea #NSC-131988N-(2,2-Dimethylpropyl)-N'-phenylthiourea
Show more names
1-Neopentyl-3-phenylthioureaN-Neopentyl-N'-phenylthioureaThiourea, N-(2,2-dimethylpropyl)-N'-phenyl-
Database identifiers
- CAS
15093-39-7- PubChem CID
- 4409450
- DTXSID
DTXSID50402959- Nikkaji
- J122.237F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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