Thymol

CAT: 0931-T3S0717-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0931-T3S0717-03Size:1 g

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CAS Number

89-83-8

Target

Apoptosis, Antifungal, Antibacterial

Related Pathways

Apoptosis, Microbiology/Virology

Purity

0.9993

Bioactivity

Thymol, also known as Pseudoaspidin, is a principal monoterpene phenol found in the essential oils of plants from the Lamiaceae family, along with several other families including Verbenaceae, Scrophulariaceae, Ranunculaceae, and Apiaceae. This compound exhibits antioxidant, anti-inflammatory, antibacterial, and antifungal properties.

Smiles

CC(C)C1=C(O)C=C(C)C=C1

Molecular Formula

C10H14O

Molecular Weight

150.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Thymol

Thymol is a phenol that is a natural monoterpene derivative of cymene. It has a role as a volatile oil component. It is a monoterpenoid and a member of phenols. It derives from a hydride of a p-cymene.

CAS Number	89-83-8
PubChem CID	6989
IUPAC Name	5-methyl-2-propan-2-ylphenol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	120

SMILES

CC1=CC(=C(C=C1)C(C)C)O

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

InChIKey

MGSRCZKZVOBKFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-83-8

CID: 6989

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
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

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Catalog	Name
166813-01	Thymol

Thymol

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