2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol

C13H10Cl2N2OS — CID 143199865

IUPAC2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc(S)cc1
InChIInChI=1S/C13H10Cl2N2OS/c14-9-5-8(13(18)12(15)6-9)7-16-17-10-1-3-11(19)4-2-10/h1-7,17-19H/b16-7+
InChIKeyKABSSVZUIBDJKC-FRKPEAEDSA-N
MW313.21 g/mol
LogP4.43
Rot. Bonds3

About 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 143199865) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
PubChem CID143199865
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC Name2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc(S)cc1
InChIInChI=1S/C13H10Cl2N2OS/c14-9-5-8(13(18)12(15)6-9)7-16-17-10-1-3-11(19)4-2-10/h1-7,17-19H/b16-7+
InChIKeyKABSSVZUIBDJKC-FRKPEAEDSA-N
XLogP4.43
TPSA44.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
2,4-dichloro-6-[[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 136691682
2-(4-chlorophenyl)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135531713

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol (CID 143199865) is 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccc(S)cc1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is KABSSVZUIBDJKC-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-9-5-8(13(18)12(15)6-9)7-16-17-10-1-3-11(19)4-2-10/h1-7,17-19H/b16-7+.
What are the key properties of 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 313.21 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[(4-sulfanylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 143199865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).