1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea

C14H10Cl3N3S — CID 6270607

IUPAC1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
SMILESS=C(N/N=C\c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3N3S/c15-10-3-1-9(2-4-10)8-18-20-14(21)19-13-7-11(16)5-6-12(13)17/h1-8H,(H2,19,20,21)/b18-8-
InChIKeyYDRCZNPPQPNXHT-LSCVHKIXSA-N
MW358.68 g/mol
LogP4.97
Rot. Bonds3

About 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea

1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea (PubChem CID 6270607) has the molecular formula C14H10Cl3N3S and a molecular weight of 358.68 g/mol. Its IUPAC name is 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
PubChem CID6270607
Molecular FormulaC14H10Cl3N3S
Molecular Weight358.68 g/mol
Exact Mass356.97
IUPAC Name1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
SMILESS=C(N/N=C\c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3N3S/c15-10-3-1-9(2-4-10)8-18-20-14(21)19-13-7-11(16)5-6-12(13)17/h1-8H,(H2,19,20,21)/b18-8-
InChIKeyYDRCZNPPQPNXHT-LSCVHKIXSA-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-(2,4-dichlorophenyl)-3-[(Z)-(4-fluorophenyl)methylideneamino]thiourea
CID 5424582
1-(3-chloro-4-fluorophenyl)-3-[(E)-(4-chlorophenyl)methylideneamino]thiourea
CID 11371268
1-(3-chlorophenyl)-3-[(4-chlorophenyl)methylideneamino]thiourea
CID 3813844
1-(2,4-dichlorophenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]thiourea
CID 40571329
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
1-(2,4-dichlorophenyl)-3-[(E)-thiophen-3-ylmethylideneamino]thiourea
CID 6902290
N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
CID 3944050
1-(2,4-dichlorophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135650606
1-(3-chlorophenyl)-3-[(4-methylphenyl)methylideneamino]thiourea
CID 75087498
N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
CID 6089933
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
1-[(3-bromophenyl)methylideneamino]-3-(4-chlorophenyl)thiourea
CID 123276505

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea?
The IUPAC name of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea (CID 6270607) is 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea.
What is the SMILES notation for 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea?
The canonical SMILES for 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea is S=C(N/N=C\c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea?
The InChIKey is YDRCZNPPQPNXHT-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H10Cl3N3S/c15-10-3-1-9(2-4-10)8-18-20-14(21)19-13-7-11(16)5-6-12(13)17/h1-8H,(H2,19,20,21)/b18-8-.
What are the key properties of 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea?
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)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-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea is sourced from PubChem (CID 6270607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).