1,1-Diisopropyl-3-phenyl-2-thiourea
Basic information
- CAS
18764-68-6- Standard SMILES
CC(C)N(C(=S)Nc1ccccc1)C(C)C- InChIKey
ROCDAFMDZLDGDA-UHFFFAOYSA-N- Molecular formula
- C13H20N2S
- Average molar mass
- 236.38 g/mol
- Monoisotopic mass
- 236.13471982
Names & identifiers
- Preferred name
- 1,1-Diisopropyl-3-phenyl-2-thiourea
- IUPAC
- 3-phenyl-1,1-di(propan-2-yl)thiourea
Names & synonyms
1,1-diisopropyl-3-phenyl-2-thioureaRefChem:409922633-761-818764-68-6CHEMBL19100613-phenyl-1,1-di(propan-2-yl)thioureaNSC131972SCHEMBL5455076DTXSID70411467BDBM50356183AKOS024335267NSC-131972
Show more names
N'-Phenyl-N,N-di(propan-2-yl)thiourea
Database identifiers
- CAS
18764-68-6- PubChem CID
- 5226515
- DTXSID
DTXSID70411467- ChEMBL
CHEMBL1910061- EC Number
- 633-761-8
- Nikkaji
- J3.585.222K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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