1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea

C19H22Cl2N2S — CID 19687859

IUPAC1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cccc(C(C)C)c1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H22Cl2N2S/c1-11(2)16-6-5-7-17(12(3)4)18(16)23-19(24)22-15-9-13(20)8-14(21)10-15/h5-12H,1-4H3,(H2,22,23,24)
InChIKeyCUBZALAIADWTFD-UHFFFAOYSA-N
MW381.37 g/mol
LogP7.05
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea

1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea (PubChem CID 19687859) has the molecular formula C19H22Cl2N2S and a molecular weight of 381.37 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
PubChem CID19687859
Molecular FormulaC19H22Cl2N2S
Molecular Weight381.37 g/mol
Exact Mass380.09
IUPAC Name1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
SMILESCC(C)c1cccc(C(C)C)c1NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H22Cl2N2S/c1-11(2)16-6-5-7-17(12(3)4)18(16)23-19(24)22-15-9-13(20)8-14(21)10-15/h5-12H,1-4H3,(H2,22,23,24)
InChIKeyCUBZALAIADWTFD-UHFFFAOYSA-N
XLogP7.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.37
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687858
1-(2,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687857
1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687856
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608
1-[2,6-di(propan-2-yl)phenyl]-3-(4-nitrophenyl)thiourea
CID 2954978
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
1-(3,5-dichlorophenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651830
1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-(3,5-dichlorophenyl)thiourea
CID 87656382
1-(3,5-dichlorophenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea
CID 3733761
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5012399
1-(4-chlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 4195925
1-(3,5-dichlorophenyl)-3-(6-methylheptan-2-yl)thiourea
CID 19652400

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea (CID 19687859) is 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea is CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
The InChIKey is CUBZALAIADWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2S/c1-11(2)16-6-5-7-17(12(3)4)18(16)23-19(24)22-15-9-13(20)8-14(21)10-15/h5-12H,1-4H3,(H2,22,23,24).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea?
1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea has a molecular weight of 381.37 g/mol, XLogP of 7.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea is sourced from PubChem (CID 19687859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).