2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol

C10H12N2OS2 — CID 135545744

IUPAC2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
SMILESCSC(=N/N=C/c1ccccc1O)SC
InChIInChI=1S/C10H12N2OS2/c1-14-10(15-2)12-11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+
InChIKeyUJNVMSNYMSTLMD-YRNVUSSQSA-N
MW240.35 g/mol
LogP2.81
Rot. Bonds2

About 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol

2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135545744) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135545744
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
SMILESCSC(=N/N=C/c1ccccc1O)SC
InChIInChI=1S/C10H12N2OS2/c1-14-10(15-2)12-11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+
InChIKeyUJNVMSNYMSTLMD-YRNVUSSQSA-N
XLogP2.81
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
bis((NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate);nickel(2+)
CID 135409864
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
CID 135751843
CID 155704691
CID 155704691
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol (CID 135545744) is 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol is CSC(=N/N=C/c1ccccc1O)SC.
What is the InChIKey of 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is UJNVMSNYMSTLMD-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-14-10(15-2)12-11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+.
What are the key properties of 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol?
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 240.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135545744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).