4,5-BIS(MERCAPTOMETHYL)-O-XYLENE
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
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.
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].
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
198.05369279 g/mol
Monoisotopic Mass
198.05369279 g/mol
Topological Polar Surface Area
2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
120
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
