Cas no 14905-80-7 (Benzene,1-methyl-3-[(1-methylethyl)thio]-)

Benzene,1-methyl-3-[(1-methylethyl)thio]- is a sulfur-containing aromatic compound characterized by a methyl-substituted benzene ring with an isopropylthio functional group at the meta position. This structure imparts unique reactivity and solubility properties, making it useful in organic synthesis and specialty chemical applications. The presence of the thioether group enhances its utility as an intermediate in the production of pharmaceuticals, agrochemicals, and materials science applications. Its stability under various conditions and compatibility with further functionalization reactions make it a versatile building block. The compound’s defined molecular structure ensures consistent performance in synthetic pathways, particularly where selective substitution or sulfur incorporation is required.

Benzene,1-methyl-3-[(1-methylethyl)thio]- structure

14905-80-7 structure

Product Name:Benzene,1-methyl-3-[(1-methylethyl)thio]-

CAS No:14905-80-7

MF:C₁₀H₁₄S

MW:166.283161640167

MDL:MFCD25959234

CID:188403

PubChem ID:139845

Update Time:2025-05-27

Benzene,1-methyl-3-[(1-methylethyl)thio]- Chemical and Physical Properties

Names and Identifiers

- Benzene,1-methyl-3-[(1-methylethyl)thio]-
- 1-methyl-3-propan-2-ylsulfanylbenzene
- ISOPROPYL M-TOLYL SULPHIDE
- Sulfide, isopropyl m-tolyl
- Isopropyl m-tolyl sulfide
- 3-Methylphenylisopropyl sulfide
- Isopropyl(3-methylphenyl) sulfide
- 1-Methyl-3-[(1-methylethyl)thio]benzene
- 1-(Isopropylsulfanyl)-3-methylbenzene #
- CIUOVJDIRUPGIE-UHFFFAOYSA-N
- 14905-80-7
- SCHEMBL13562371
- Benzene, 1-methyl-3-[(1-methylethyl)thio]-
- DTXSID20164158
- SULFIDE,ISOPROPYL M-TOLYL
- 1-methyl-3-(propan-2-ylsulfanyl)benzene
- Benzene, 1-methyl-3-((1-methylethyl)thio)-
- MDL： MFCD25959234
- Inchi： 1S/C10H14S/c1-8(2)11-10-6-4-5-9(3)7-10/h4-8H,1-3H3
- InChI Key： CIUOVJDIRUPGIE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C)C=1)C(C)C

Computed Properties

Exact Mass: 166.08172
Monoisotopic Mass: 166.082
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 11
Rotatable Bond Count: 2
Complexity: 109
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4
Topological Polar Surface Area: 25.3?2

Experimental Properties

Density: 0.97
Boiling Point: 232.5°Cat760mmHg
Flash Point: 93°C
Refractive Index: 1.538
PSA: 0

Benzene,1-methyl-3-[(1-methylethyl)thio]- Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
A2B Chem LLC	AF19229-250mg	Sulfide, isopropyl m-tolyl	14905-80-7	99%	250mg	$62.00	2024-04-20
A2B Chem LLC	AF19229-1g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	1g	$125.00	2024-04-20
A2B Chem LLC	AF19229-5g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	5g	$560.00	2024-04-20
A2B Chem LLC	AF19229-25g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	25g	$1995.00	2024-04-20
1PlusChem	1P00B599-250mg	Sulfide, isopropyl m-tolyl	14905-80-7	99%	250mg	$95.00	2025-02-25
1PlusChem	1P00B599-1g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	1g	$165.00	2025-02-25
1PlusChem	1P00B599-5g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	5g	$670.00	2025-02-25
1PlusChem	1P00B599-25g	Sulfide, isopropyl m-tolyl	14905-80-7	99%	25g	$2319.00	2025-02-25