1-(4-Chlorophenyl)-3-phenyl-2-thiourea
Basic information
- CAS
7392-67-8- Standard SMILES
S=C(Nc1ccccc1)Nc1ccc(Cl)cc1- InChIKey
XYAKDKSYCSTBMN-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2S
- Average molar mass
- 262.76 g/mol
- Monoisotopic mass
- 262.0331472
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-phenyl-2-thiourea
- IUPAC
- 1-(4-chlorophenyl)-3-phenylthiourea
- English name
- 1-(4-Chlorophenyl)-3-phenyl-2-thiourea
- Molecular formula
- C13H11ClN2S
- Molecular weight
- 262.76
Names & synonyms
7392-67-81-(4-Chlorophenyl)-3-phenyl-2-thioureaDTXSID30357493RefChem:225050DTXCID40308552665-878-51-(4-chlorophenyl)-3-phenylthioureaN-(4-Chlorophenyl)-N'-phenylthioureaMFCD00022116CHEMBL1910058ZINC396258ZINC00396258
Show more names
Thiourea, N-(4-chlorophenyl)-N'-phenyl-
1-(p-Chlorophenyl)-3-phenyl-2-thiourea3-(4-CHLOROPHENYL)-1-PHENYLTHIOUREACBMicro_023311SCHEMBL5081276S=C(Nc1ccccc1)Nc1ccc(cc1)ClXYAKDKSYCSTBMN-UHFFFAOYSA-NBDBM50356176CCG-10682
Database identifiers
- CAS
7392-67-8- PubChem CID
- 853759
- DTXSID
DTXSID30357493- ChEMBL
CHEMBL1910058- EC Number
- 665-878-5
- Nikkaji
- J1.426.975D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 152 °C · 152°C
- Boiling point
- 375.7 · 375.7±44.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.70(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 410 · H410-H335-H315-H301-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
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 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H410-H335-H315-H301-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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