3,3-Dimethyl-d(-)-cysteine

• CAS: 52-67-5
• Catalog Number: ACM52675
• Category: Other Products
• Molecular Weight: 149.21
• Molecular Formula: C₅H₁₁NO₂S
• Synonyms: (S)-Penicillamin;(S)-Penicillamine;3-mercapto-d-valin;3-Sulfanylvaline;alpha-amino-beta-methyl-beta-mercaptobutyricacid;Artamine;beta,beta-Dimethylcysteine;beta-mercaptovaline
• Melting Point: 210°C (dec.)(lit.)
• Hazard Statements: Xi,T,Xn
• Safety Description: 26-36-24/25-22
• Supplemental Hazard Statements: H315-H319-H335-H361d
• Symbol: GHS07,GHS08

Custom Q&A

What is the molecular formula of 3,3-Dimethyl-D(-)-cysteine?

The molecular formula of 3,3-Dimethyl-D(-)-cysteine is C5H11NO2S.

What is the molecular weight of 3,3-Dimethyl-D(-)-cysteine?

The molecular weight of 3,3-Dimethyl-D(-)-cysteine is 149.21 g/mol.

When was 3,3-Dimethyl-D(-)-cysteine created and last modified in PubChem?

3,3-Dimethyl-D(-)-cysteine was created on February 9, 2007, and last modified on December 30, 2023.

What is the IUPAC name of 3,3-Dimethyl-D(-)-cysteine?

The IUPAC name of 3,3-Dimethyl-D(-)-cysteine is 2-(dimethylamino)-3-sulfanylpropanoic acid.

What is the Canonical SMILES representation of 3,3-Dimethyl-D(-)-cysteine?

The Canonical SMILES representation of 3,3-Dimethyl-D(-)-cysteine is CN(C)C(CS)C(=O)O.

What is the InChIKey of 3,3-Dimethyl-D(-)-cysteine?

The InChIKey of 3,3-Dimethyl-D(-)-cysteine is XIWVVHDARMMTBX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 3,3-Dimethyl-D(-)-cysteine have?

3,3-Dimethyl-D(-)-cysteine has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 3,3-Dimethyl-D(-)-cysteine?

The XLogP3-AA value of 3,3-Dimethyl-D(-)-cysteine is -2.1.

How many rotatable bond counts does 3,3-Dimethyl-D(-)-cysteine have?

3,3-Dimethyl-D(-)-cysteine has 3 rotatable bond counts.

Is 3,3-Dimethyl-D(-)-cysteine considered canonicalized in PubChem?

Yes, 3,3-Dimethyl-D(-)-cysteine is considered canonicalized in PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 52-67-5

• 2280-27-5

Reference: [1] Canadian Journal of Chemistry, 1969, vol. 47, p. 1029 - 1036

Downstream Synthesis Route 2

• 67-56-1
• 52-67-5

• 29913-83-5

Reference: [1]Journal of Pharmacology and Experimental Therapeutics,2006,vol. 316,p. 805 - 814
[2]Patent: US2491523,1946,
[3]Journal of medicinal chemistry,1971,vol. 14,p. 868 - 872
[4]Journal of Chemical and Engineering Data,1984,vol. 29,p. 351 - 354
[5]Patent: US2005/197400,2005,A1 .Location in patent: Page/Page column 2

Downstream Synthesis Route 3

• 50-00-0
• 52-67-5

• 22916-26-3

Reference: [1]Patent: WO2017/60914,2017,A2 .Location in patent: Paragraph 00061-00064

Downstream Synthesis Route 4

• 52-67-5

• 20902-45-8

Reference: [1]Chemistry of Penicillin,

* For details of the synthesis route, please refer to the original source to ensure accuracy.