4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol

C11H7Cl2NOS — CID 165347289

IUPAC4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol
SMILESOc1ccc(/N=C/c2cc(Cl)c(Cl)s2)cc1
InChIInChI=1S/C11H7Cl2NOS/c12-10-5-9(16-11(10)13)6-14-7-1-3-8(15)4-2-7/h1-6,15H/b14-6+
InChIKeyPYPHCUQMUTZAIN-MKMNVTDBSA-N
MW272.16 g/mol
LogP4.51
Rot. Bonds2

About 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol

4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol (PubChem CID 165347289) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol
PubChem CID165347289
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol
SMILESOc1ccc(/N=C/c2cc(Cl)c(Cl)s2)cc1
InChIInChI=1S/C11H7Cl2NOS/c12-10-5-9(16-11(10)13)6-14-7-1-3-8(15)4-2-7/h1-6,15H/b14-6+
InChIKeyPYPHCUQMUTZAIN-MKMNVTDBSA-N
XLogP4.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-[(2,3-dichlorophenyl)methylideneamino]phenol
CID 132648456
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
1-(5-chlorothiophen-2-yl)-N-(4-methylphenyl)methanimine
CID 86221310
4-[(5-pyren-1-ylthiophen-2-yl)methylideneamino]phenol
CID 169452370
4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070
4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
CID 122518423
dichloroiron;N-(4-methylphenyl)-1-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701988
2-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-bromo-6-chlorophenol
CID 3472912

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol?
The IUPAC name of 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol (CID 165347289) is 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol.
What is the SMILES notation for 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol?
The canonical SMILES for 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol is Oc1ccc(/N=C/c2cc(Cl)c(Cl)s2)cc1.
What is the InChIKey of 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol?
The InChIKey is PYPHCUQMUTZAIN-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c12-10-5-9(16-11(10)13)6-14-7-1-3-8(15)4-2-7/h1-6,15H/b14-6+.
What are the key properties of 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol?
4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol has a molecular weight of 272.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dichlorothiophen-2-yl)methylideneamino]phenol is sourced from PubChem (CID 165347289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).