3-Benzyl-1,1-dimethyl-2-thiourea
Basic information
- CAS
2741-14-2- Standard SMILES
CN(C)C(=S)NCc1ccccc1- InChIKey
XZGRYNLIECOIAV-UHFFFAOYSA-N- Molecular formula
- C10H14N2S
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.08776963
Names & identifiers
- Preferred name
- 3-Benzyl-1,1-dimethyl-2-thiourea
- IUPAC
- 3-benzyl-1,1-dimethylthiourea
- English name
- 3-Benzyl-1,1-dimethyl-2-thiourea
- Molecular formula
- C10H14N2S
- Molecular weight
- 194.3
Names & synonyms
3-benzyl-1,1-dimethyl-2-thioureaRefChem:497958653-675-41-benzyl-3,3-dimethylthiourea2741-14-23-benzyl-1,1-dimethylthioureaNSC157321MLS000568033N'-Benzyl-N,N-dimethylthioureaCHEMBL1320001SCHEMBL27686973DTXSID60357628
Show more names
N,N-Dimethyl-N'-(phenylmethyl)thioureaN,N-Dimethyl-N'-(phenylmethyl)thiourea
HMS1761D12HMS2309L23CAA74114AKOS001057861NSC-157321SMR000154436CS-0246971EN300-35074
Database identifiers
- CAS
2741-14-2- PubChem CID
- 855080
- DTXSID
DTXSID60357628- ChEMBL
CHEMBL1320001- EC Number
- 653-675-4
- Nikkaji
- J1.582.312G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
LogP1.59
Physicochemical properties
- Melting point
- 97 · 97 - 99°C
- Boiling point
- 285.9 · 285.9±33.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.2 · 15.20±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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