1,1-Dimethyl-3-(para-tolyl)-2-thiourea
Basic information
- CAS
2741-13-1- Standard SMILES
Cc1ccc(NC(=S)N(C)C)cc1- InChIKey
NVFPKSLOJQQWMO-UHFFFAOYSA-N- Molecular formula
- C10H14N2S
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.08776963
Names & identifiers
- Preferred name
- 1,1-Dimethyl-3-(para-tolyl)-2-thiourea
- IUPAC
- 1,1-dimethyl-3-(4-methylphenyl)thiourea
- English name
- Thiourea,N,N-dimethyl-N'-(4-methylphenyl)-
- Molecular formula
- C10H14N2S
- Molecular weight
- 194.3
Names & synonyms
1,1-dimethyl-3-(para-tolyl)-2-thioureaRefChem:409969652-166-42741-13-11,1-Dimethyl-3-(p-tolyl)thiourea1,1-dimethyl-3-(4-methylphenyl)thiourea3,3-dimethyl-1-(4-methylphenyl)thioureaNSC202126SCHEMBL5450380DTXSID00351746NVFPKSLOJQQWMO-UHFFFAOYSA-N1,1-Dimethyl-3-p-tolyl-thiourea
Show more names
Thiourea,N,N-dimethyl-N'-(4-methylphenyl)-
1,1-dimethyl-3-(p-tolyl)isothioureaAKOS001030269AKOS002743887NSC-202126N,N-DIMETHYL-N'-(P-TOLY)THIOUREAN,N-Dimethyl-N'-(4-methylphenyl)thioureaUPCMLD0ENAT0500-3096:001DS-012500
Database identifiers
- CAS
2741-13-1- PubChem CID
- 708394
- DTXSID
DTXSID00351746- EC Number
- 652-166-4
- Nikkaji
- J1.392.243H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 167 · 167-168.5 °C
- Boiling point
- 271.5 · 271.5±33.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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