Dibenzothiophene-d8|(2H8)-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene|二苯并噻吩-d8|(2H8)-8-thiatricyclo[7.4.0.0<s...

Molecular Formula

C₁₂H₈S

Molecular Mass

184.25692

Exact Mass

184.03467126

InChI

InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChIKey

IYYZUPMFVPLQIF-UHFFFAOYSA-N

Canonic Smiles

c1ccc2c(c1)sc1c2cccc1

Isomeric Smiles

c1ccc2c(c1)c1ccccc1s2

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9448535

LogD (pH = 7.4)

3.9448535

Log P

3.9448535

Molar Refractivity

55.6324

Polarizability

24.25814

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Dibenzothiophene-d8二苯并噻吩-d8

IUPAC name

(²H₈)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene

IUPAC Traditional name

(²H₈)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene

MDL Number

MFCD00144102

PubChem SID

24881196162229284

PubChem CID

12198370

Safety Information

MSDS Link

Download link

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

GHS Signal Word

Warning

German water hazard class

GHS Pictograms

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

Risk Statements

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302

Physical Property

Boiling Point

323-333 °C

Melting Point

97-100 °C

Mass Shift

M+8

Product Information

Mol. Weight

mol wt 192.15 by atom % calculation

Empirical Formula (Hill Notation)

C12D8S

Isotopic Purity

98 atom % D

No Data Available

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No Data Available

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Sigma Aldrich

588032

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

Dibenzothiophene-d8二苯并噻吩-d8

IUPAC name

(²H₈)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene

IUPAC Traditional name

(²H₈)-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene

MDL Number

MFCD00144102

PubChem SID

24881196162229284

PubChem CID

12198370

Safety Information

MSDS Link

Download link

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

GHS Signal Word

Warning

German water hazard class

GHS Pictograms

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

Risk Statements

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302

Physical Property

Boiling Point

323-333 °C

Melting Point

97-100 °C

Mass Shift

M+8

Product Information

Mol. Weight

mol wt 192.15 by atom % calculation

Empirical Formula (Hill Notation)

C12D8S

Isotopic Purity

98 atom % D

Sigma Aldrich

588032

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Molecule

ID:135009