CAS 638-02-8|2,5-dimethylthiophene|2,5-dimethylthiophene|2,5-Dimethylthiophene|2,5-Dimethylthiophene|2,5-二甲基噻吩

Molecular Formula

C₆H₈S

Molecular Mass

112.19272

Exact Mass

112.03467126

InChI

InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChIKey

GWQOOADXMVQEFT-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(s1)C

Isomeric Smiles

c1cc(sc1C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0454094

LogD (pH = 7.4)

3.0454094

Log P

3.0454094

Molar Refractivity

33.2764

Polarizability

12.495921

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

12514

Synonyms

2,5-Dimethylthiophene2,5-二甲基噻吩2,5-Dimethylthiophene

IUPAC Traditional name

2,5-dimethylthiophene

IUPAC name

2,5-dimethylthiophene

MDL Number

MFCD00005452

Flavis Number

15.064

Beilstein Number

106450

Storage Warning

STENCH, FLAMMABLE

Flammable

MSDS Link

Download link

TSCA Listed

false

否

Risk Statements

10-20

Packing Group

III

GHS Hazard statements

H226

H226-H332

GHS Signal Word

Warning

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

RID/ADR

UN 1993 3/PG 3

German water hazard class

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Safety Statements

23-24/25

23-36

Hazard Class

UN Number

1993

UN1993

GHS Precautionary statements

P210-P261-P280F

European Hazard Symbols

Harmful (X)

Product Information

Physical Property

Pharmacology Properties

Allergens

no known allergens

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

W515507

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

D188603

Packaging
25, 100 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

12514

Synonyms

2,5-Dimethylthiophene2,5-二甲基噻吩2,5-Dimethylthiophene

IUPAC Traditional name

2,5-dimethylthiophene

IUPAC name

2,5-dimethylthiophene

MDL Number

MFCD00005452

Flavis Number

15.064

Beilstein Number

106450

Safety Information

Product Information

Physical Property

Pharmacology Properties

Allergens

no known allergens

Sigma Aldrich

W515507

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

D188603

Packaging
25, 100 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:8478