1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea

C14H10Cl4N2S — CID 4150337

IUPAC1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea
SMILESCc1ccc(Cl)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C14H10Cl4N2S/c1-7-2-4-10(16)13(12(7)18)20-14(21)19-8-3-5-9(15)11(17)6-8/h2-6H,1H3,(H2,19,20,21)
InChIKeyOYCGKMUAHQETHE-UHFFFAOYSA-N
MW380.13 g/mol
LogP6.42
Rot. Bonds2

About 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea

1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea (PubChem CID 4150337) has the molecular formula C14H10Cl4N2S and a molecular weight of 380.13 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea
PubChem CID4150337
Molecular FormulaC14H10Cl4N2S
Molecular Weight380.13 g/mol
Exact Mass377.93
IUPAC Name1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea
SMILESCc1ccc(Cl)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C14H10Cl4N2S/c1-7-2-4-10(16)13(12(7)18)20-14(21)19-8-3-5-9(15)11(17)6-8/h2-6H,1H3,(H2,19,20,21)
InChIKeyOYCGKMUAHQETHE-UHFFFAOYSA-N
XLogP6.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.13
LogP ≤ 56.42
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-bis(3,4-dichlorophenyl)thiourea
CID 4763349
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424
1-(3,4-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 4225597
1-(3,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687858
1-(3,4-dichlorophenyl)-3-(3-methyl-2-pyridinyl)thiourea
CID 970215
1-(3-chloro-4-methylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19677727
1-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678008
N-[4-[(3,4-dichlorophenyl)carbamothioylamino]-2-methylphenyl]formamide
CID 155694086
1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
CID 5078814
1-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 17283512
1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea?
The IUPAC name of 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea (CID 4150337) is 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea.
What is the SMILES notation for 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea?
The canonical SMILES for 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea is Cc1ccc(Cl)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea?
The InChIKey is OYCGKMUAHQETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2S/c1-7-2-4-10(16)13(12(7)18)20-14(21)19-8-3-5-9(15)11(17)6-8/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea?
1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea has a molecular weight of 380.13 g/mol, XLogP of 6.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea is sourced from PubChem (CID 4150337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).