CAS 286-28-2|7-thiabicyclo[4.1.0]heptane|7-thiabicyclo[4.1.0]heptane|CYCLOHEXENE SULFIDE|7-Thiabicyclo[4.1.0]heptane|硫化环己烯|环己硫醚|Cyclohexene sulfide

Molecular Formula

C₆H₁₀S

Molecular Mass

114.2086

Exact Mass

114.05032132

InChI

InChI=1S/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2

InChIKey

PQWJNIJNYRPOAA-UHFFFAOYSA-N

Canonic Smiles

C1CCC2C(C1)S2

Isomeric Smiles

C1CCC2SC2C1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8955042

LogD (pH = 7.4)

1.8955042

Log P

1.8955042

Molar Refractivity

33.3569

Polarizability

13.39238

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

9247

IUPAC Traditional name

7-thiabicyclo[4.1.0]heptane

IUPAC name

7-thiabicyclo[4.1.0]heptane

Synonyms

CYCLOHEXENE SULFIDE7-Thiabicyclo[4.1.0]heptane硫化环己烯环己硫醚Cyclohexene sulfide

PubChem SID

16209513224892307

MDL Number

MFCD00005163

Product Information

Certificate of Analysis

Download link

Grade

technical grade

Empirical Formula (Hill Notation)

C6H10S

Purity

85%

MSDS Link

Download link

RID/ADR

UN 1993 3/PG 3

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

Personal Protective Equipment

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

Hazard Class

German water hazard class

GHS Signal Word

Warning

Risk Statements

Storage Temperature

2-8°C

UN Number

1993

Packing Group

GHS Hazard statements

H226

Physical Property

Flash Point

122 °F

50 °C

Refractive Index

n20/D 1.527(lit.)

Boiling Point

55-58 °C/12 mmHg(lit.)

No Data Available

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No Data Available

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MP Biomedicals

05206705

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C102601

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

9247

IUPAC Traditional name

7-thiabicyclo[4.1.0]heptane

IUPAC name

7-thiabicyclo[4.1.0]heptane

Synonyms

CYCLOHEXENE SULFIDE7-Thiabicyclo[4.1.0]heptane硫化环己烯环己硫醚Cyclohexene sulfide

PubChem SID

16209513224892307

MDL Number

MFCD00005163

Product Information

Certificate of Analysis

Download link

Grade

technical grade

Empirical Formula (Hill Notation)

C6H10S

Purity

85%

Safety Information

Physical Property

Flash Point

122 °F

50 °C

Refractive Index

n20/D 1.527(lit.)

Boiling Point

55-58 °C/12 mmHg(lit.)

MP Biomedicals

05206705

MP Biomedicals Rare Chemical collection

Sigma Aldrich

C102601

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:108259