1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea

C15H13Cl2N3O2S — CID 2406924

IUPAC1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea
SMILESC=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O
InChIInChI=1S/C15H13Cl2N3O2S/c1-8(11-4-3-10(21)7-14(11)22)19-20-15(23)18-9-2-5-12(16)13(17)6-9/h2-7,19,21-22H,1H2,(H2,18,20,23)
InChIKeyZYCHIRHFXSFGDF-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.87
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea

1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea (PubChem CID 2406924) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea
PubChem CID2406924
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea
SMILESC=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O
InChIInChI=1S/C15H13Cl2N3O2S/c1-8(11-4-3-10(21)7-14(11)22)19-20-15(23)18-9-2-5-12(16)13(17)6-9/h2-7,19,21-22H,1H2,(H2,18,20,23)
InChIKeyZYCHIRHFXSFGDF-UHFFFAOYSA-N
XLogP3.87
TPSA76.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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-(pyridin-3-ylcarbamothioylamino)thiourea
CID 1253409
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
2-[(3,4-dichlorophenyl)carbamothioylamino]benzamide
CID 3658903
1-(2,6-dichloro-3-methylphenyl)-3-(3,4-dichlorophenyl)thiourea
CID 4150337
1-benzhydryl-3-(3,4-dichlorophenyl)thiourea
CID 4116279
1-(3,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687858
1-(3,4-dichlorophenyl)-3-(3,5-dimethoxyphenyl)thiourea
CID 5078814
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3,4-dichlorophenyl)-3-(2,2-dimethylpropyl)thiourea
CID 54758020
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
2-[2-[2-[(3,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 25103488

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea (CID 2406924) is 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea is C=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea?
The InChIKey is ZYCHIRHFXSFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-8(11-4-3-10(21)7-14(11)22)19-20-15(23)18-9-2-5-12(16)13(17)6-9/h2-7,19,21-22H,1H2,(H2,18,20,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea?
1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea has a molecular weight of 370.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[1-(2,4-dihydroxyphenyl)ethenylamino]thiourea is sourced from PubChem (CID 2406924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).