CAS 1217444-21-7|S-Allyl-d5-L-cysteine|S-烯丙基-d5-L-半胱氨酸|(2R)-2-amino-3-[(2H5)prop-2-en-1-ylsulfanyl]propanoic acid|(2R)-2-amino-3-[(2H5)prop-2-en-1-...

Molecular Formula

C₆H₁₁NO₂S

Molecular Mass

161.22204

Exact Mass

161.0510496

InChI

InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey

ZFAHNWWNDFHPOH-YFKPBYRVSA-N

Canonic Smiles

N[C@H](C(=O)O)CSCC=C

Isomeric Smiles

C=CCSC[C@@H](C(=O)O)N

JChem

Acid pKa

2.5273228

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7770348

LogD (pH = 7.4)

-1.784013

Log P

-1.7769768

Molar Refractivity

42.0865

Polarizability

16.652542

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

S-Allyl-d5-L-cysteineS-烯丙基-d5-L-半胱氨酸

IUPAC Traditional name

(2R)-2-amino-3-[(²H₅)prop-2-en-1-ylsulfanyl]propanoic acid

IUPAC name

(2R)-2-amino-3-[(²H₅)prop-2-en-1-ylsulfanyl]propanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

Safety Information

MSDS Link

Download link

German water hazard class

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Risk Statements

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

GHS Signal Word

Warning

Product Information

Linear Formula

D2C=CDCD2SCH2CH(NH2)CO2H

Mol. Weight

mol wt 166.16 by atom % calculation

Purity

95% (CP)

Isotopic Purity

98 atom % D

Physical Property

Mass Shift

M+5

No Data Available

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No Data Available

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Sigma Aldrich

616052

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

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Commercial Catalog

Academic Data

Synonyms

S-Allyl-d5-L-cysteineS-烯丙基-d5-L-半胱氨酸

IUPAC Traditional name

(2R)-2-amino-3-[(²H₅)prop-2-en-1-ylsulfanyl]propanoic acid

IUPAC name

(2R)-2-amino-3-[(²H₅)prop-2-en-1-ylsulfanyl]propanoic acid

MDL Number

CAS Number

PubChem CID

PubChem SID

Safety Information

MSDS Link

Download link

German water hazard class

European Hazard Symbols

Harmful (Xn)

GHS Hazard statements

H302

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Risk Statements

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

GHS Signal Word

Warning

Product Information

Linear Formula

D2C=CDCD2SCH2CH(NH2)CO2H

Mol. Weight

mol wt 166.16 by atom % calculation

Purity

95% (CP)

Isotopic Purity

98 atom % D

Physical Property

Mass Shift

M+5

Sigma Aldrich

616052

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:135042