CAS 6601-20-3|N,N'-二烯丙基硫脲|N,N'-Diallylthiourea|1,3-bis(prop-2-en-1-yl)thiourea|1,3-bis(prop-2-en-1-yl)thiourea|N,N'-DIALLYTHIOUREA

Molecular Formula

C₇H₁₂N₂S

Molecular Mass

156.24858

Exact Mass

156.07211939

InChI

InChI=1S/C7H12N2S/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)

InChIKey

DZZWKUMHMSNBSG-UHFFFAOYSA-N

Canonic Smiles

C=CCNC(=S)NCC=C

Isomeric Smiles

C=CCNC(=S)NCC=C

JChem

Acid pKa

14.157886

H Acceptors

H Donor

LogD (pH = 5.5)

1.4358875

LogD (pH = 7.4)

1.4358875

Log P

1.4358875

Molar Refractivity

49.2523

Polarizability

18.879053

Polar Surface Area

24.06

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

3034186

Synonyms

N,N'-二烯丙基硫脲N,N'-DiallylthioureaN,N'-DIALLYTHIOUREA

IUPAC Traditional name

1,3-bis(prop-2-en-1-yl)thiourea

IUPAC name

1,3-bis(prop-2-en-1-yl)thiourea

MDL Number

Beilstein Number

CAS Number

PubChem SID

Product Information

Certificate of Analysis

Download link

Purity

96%

Safety Information

MSDS Link

Download link

GHS Precautionary statements

P280F

GHS Hazard statements

H302

Safety Statements

Risk Statements

TSCA Listed

是

European Hazard Symbols

Harmful (X)

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

Physical Property

Melting Point

42-45°C

No Data Available

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No Data Available

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MP Biomedicals

05224245

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Academic Data

PubChem

3034186

Synonyms

N,N'-二烯丙基硫脲N,N'-DiallylthioureaN,N'-DIALLYTHIOUREA

IUPAC Traditional name

1,3-bis(prop-2-en-1-yl)thiourea

IUPAC name

1,3-bis(prop-2-en-1-yl)thiourea

MDL Number

Beilstein Number

CAS Number

PubChem SID

Product Information

Certificate of Analysis

Download link

Purity

96%

Safety Information

MSDS Link

Download link

GHS Precautionary statements

P280F

GHS Hazard statements

H302

Safety Statements

Risk Statements

TSCA Listed

是

European Hazard Symbols

Harmful (X)

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

Physical Property

Melting Point

42-45°C

MP Biomedicals

05224245

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Molecule

ID:112475