1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea

C14H10Cl3N3S — CID 3851146

IUPAC1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
SMILESS=C(NN=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl3N3S/c15-10-2-1-3-12(6-10)19-14(21)20-18-8-9-4-5-11(16)7-13(9)17/h1-8H,(H2,19,20,21)
InChIKeyJCIWGDMVULAHHY-UHFFFAOYSA-N
MW358.68 g/mol
LogP4.97
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea

1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea (PubChem CID 3851146) has the molecular formula C14H10Cl3N3S and a molecular weight of 358.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
PubChem CID3851146
Molecular FormulaC14H10Cl3N3S
Molecular Weight358.68 g/mol
Exact Mass356.97
IUPAC Name1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
SMILESS=C(NN=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C14H10Cl3N3S/c15-10-2-1-3-12(6-10)19-14(21)20-18-8-9-4-5-11(16)7-13(9)17/h1-8H,(H2,19,20,21)
InChIKeyJCIWGDMVULAHHY-UHFFFAOYSA-N
XLogP4.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(4-chlorophenyl)methylideneamino]thiourea
CID 3813844
1-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)thiourea
CID 3676997
1-(3-chlorophenyl)-3-[(4-methylphenyl)methylideneamino]thiourea
CID 75087498
1-[(3-bromophenyl)methylideneamino]-3-(3-chlorophenyl)thiourea
CID 75087413
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
3-[[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136851899
2-[(E)-[(3-carboxyphenyl)carbamothioylhydrazinylidene]methyl]-4-chlorophenolate
CID 135678789
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
1-(2,4-dichlorophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135650606
1-(3-chlorophenyl)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3375542
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
1-[(Z)-(3-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7965995

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea (CID 3851146) is 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea is S=C(NN=Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea?
The InChIKey is JCIWGDMVULAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3S/c15-10-2-1-3-12(6-10)19-14(21)20-18-8-9-4-5-11(16)7-13(9)17/h1-8H,(H2,19,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea?
1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea has a molecular weight of 358.68 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea is sourced from PubChem (CID 3851146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).