1-(4-Chlorophenyl)-3-(4-diethylamino-ortho-tolyl)-2-thiourea
Basic information
- CAS
108367-07-3- Standard SMILES
CCN(CC)c1ccc(NC(=S)Nc2ccc(Cl)cc2)c(C)c1- InChIKey
DCQYKXJGJACHKI-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3S
- Average molar mass
- 347.9 g/mol
- Monoisotopic mass
- 347.1222966
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-(4-diethylamino-ortho-tolyl)-2-thiourea
- IUPAC
- 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]thiourea
- English name
- 1-(4-Chlorophenyl)-3-(4-diethylamino-ortho-tolyl)-2-thiourea
- Molecular formula
- C18H22ClN3S
- Molecular weight
- 347.91
Names & synonyms
1-(4-chlorophenyl)-3-(4-diethylamino-ortho-tolyl)-2-thioureaRefChem:425274108367-07-3652-107-2Oprea1_035120SCHEMBL5452704AKOS024333629AB00005630-01Thiourea, N-(4-chlorophenyl)-N'-[4-(diethylamino)-2-methylphenyl]-
Database identifiers
- CAS
108367-07-3- PubChem CID
- 3336082
- EC Number
- 652-107-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H319-H413-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H335-H319-H413-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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