4,5-BIS(MERCAPTOMETHYL)-O-XYLENE

Inquiry

Molecular Formula:

C10H14S2

Molecular Weight:

198.35

CAS Number:

10230-61-2

Catalog Number:

10230-61-2

Product Information

Molecular Formula:

C10H14S2

Molecular Weight:

198.35

Description

4,5-BIS(MERCAPTOMETHYL)-O-XYLENE is an eminent and distinctive compound. Its unparalleled potential lies in combating a myriad of ailments, encompassing cancer, diabetes, and cardiovascular maladies. The extraordinary molecular configuration fosters unparalleled adhesion potential to specific receptors, thereby propelling therapeutic consequences.

Synonyms

4,5-dimethyl-2-benzenedimethanethiol; DURENE-ALPHA1,ALPHA2-DITHIOL; [2-(MERCAPTOMETHYL)-4,5-DIMETHYLPHENYL]METHANETHIOL; 1,2-DIMETHYL-4,5-BIS(MERCAPTOMETHYL)BENZENE; 4,5-DIMETHYL-O-XYLENE-ALPHA,ALPHA'-DITHIOL; 4,5-DIMETHYL-O-XYLYLENEDITHIOL

IUPAC Name

[4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol

Canonical SMILES

CC1=CC(=C(C=C1C)CS)CS

InChI

InChI=1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3

InChI Key

NNGQXIUDFKIVKI-UHFFFAOYSA-N

Boiling Point

318.5°C at 760mmHg

Melting Point

64-69°C

Purity

95%

Density

1.085g/cm3

Appearance

White to Almost white powder to crystal

Refractive Index

1.6210 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

198.05369279 g/mol

Monoisotopic Mass

198.05369279 g/mol

Topological Polar Surface Area

2Å²

Heavy Atom Count

Formal Charge

Complexity

120

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4,5-BIS(MERCAPTOMETHYL)-O-XYLENE

Product Information

Safety Information

Computed Properties

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