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2-Methylthiophene

CAT: 0804-HY-W010615-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010615-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Methylthiophene is an intermediate used in the synthesis of the aromatic sulfur compounds[1].
CAS Number
554-14-3
UNSPSC
12352005
Hazard Statement
H225
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-methylthiophene.html
Concentration
10mM
Purity
99.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=CC=CS1
Molecular Formula
C5H6S
Molecular Weight
98.17
Precautions
H225
References & Citations
[1]Marta Królikowska, et al. Effect of Cation Structure in Quinolinium-Based Ionic Liquids on the Solubility in Aromatic Sulfur Compounds or Heptane: Thermodynamic Study on Phase Diagrams. Molecules
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Methylthiophene

2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of thiophenes. It is functionally related to a thiophene.

CAS Number554-14-3
PubChem CID11126
IUPAC Name2-methylthiophene
Molecular FormulaC5H6S
Molecular Weight98.17
XLogP2.3
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity43
SMILES
CC1=CC=CS1
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylthiophene
CAS: 554-14-3
CID: 11126
Formula: C5H6S
MW: 98.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.17
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass98.01902136
Monoisotopic Mass98.01902136
Topological Polar Surface Area28.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity43.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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