DL-3-(Benzylthio)lactic Acid - CAS 30134-75-9
Catalog: |
BB061713 |
Product Name: |
DL-3-(Benzylthio)lactic Acid |
CAS: |
30134-75-9 |
Synonyms: |
(±)-2-Hydroxy-3-[(phenylmethyl)thio]propanoic Acid; S-Benzyl-3-thio-DL-lactic Acid; 2-Hydroxy-3-[(phenylmethyl)thio]propanoic Acid |
IUPAC Name: | 3-benzylsulfanyl-2-hydroxypropanoic acid |
Description: | DL-3-(Benzylthio)lactic Acid is used in the preparation of somatostatin analogs, affecting growth hormones. |
Molecular Weight: | 212.27 |
Molecular Formula: | C10H12O3S |
Canonical SMILES: | C1=CC=C(C=C1)CSCC(C(=O)O)O |
InChI: | InChI=1S/C10H12O3S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13) |
InChI Key: | YKCLLBKUBRUEQB-UHFFFAOYSA-N |
Melting Point: | 101-104°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White Solid |
Storage: | 4°C, Inert atmosphere |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.05071541 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.05071541 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 82.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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