Name: Name:3,4-Dimethylthiophenol
Brand: Angene
SKU: AG002GN9
Rating: 90 (10 reviews)

3,4-Dimethylthiophenol

CAS No.:

18800-53-8

Catalog Number:

AG002GN9

Molecular Formula:

C8H10S

Molecular Weight:

138.2300

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>97.0%(GC)(T)

1 week

United States

$196

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Product Description

Catalog Number:

AG002GN9

Chemical Name:

3,4-Dimethylthiophenol

CAS Number:

18800-53-8

Molecular Formula:

C8H10S

Molecular Weight:

138.2300

MDL Number:

MFCD00010023

IUPAC Name:

3,4-dimethylbenzenethiol

InChI:

InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3

InChI Key:

IDKCKPBAFOIONK-UHFFFAOYSA-N

SMILES:

Sc1ccc(c(c1)C)C

EC Number:

242-587-8

Properties

Complexity:

90.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

138.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

138.228g/mol

Monoisotopic Mass:

138.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Aqueous photodegradation of fenthion by ultraviolet B irradiation: contribution of singlet oxygen in photodegradation and photochemical hydrolysis.	Water research 20030101

Properties