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DL-GOITRIN

CAS 500-12-9C5H7NOSMW 129.18

DL-GOITRIN (CAS 500-12-9) — formula C5H7NOS, molecular weight 129.18; category organic chemicals.

Product Overview

CAS Number500-12-9
Molecular FormulaC5H7NOS
Molecular Weight129.18
Melting Point50 °C
LogP1
CategoryOrganic Chemicals

Technical Profile

What this product is

DL-GOITRIN is a carbon-based organic compound with CAS registry number 500-12-9 and molecular formula C5H7NOS (molecular weight 129.18), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 500-12-9

Its molecular formula C5H7NOS comprises 5 C, 7 H, 1 N, 1 O, 1 S atoms.

Also known as: DL-GOITRIN

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of DL-GOITRIN?

The CAS registry number of DL-GOITRIN is 500-12-9.

What is the molecular formula and molecular weight of DL-GOITRIN?

Molecular formula C5H7NOS, molecular weight 129.18.

What other names is DL-GOITRIN known by?

It is also registered under: DL-GOITRIN.

Which category does DL-GOITRIN belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for DL-GOITRIN (CAS 500-12-9), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number500-12-9
PubChem CID7568320
Molecular formulaC5H7NOS
IUPAC name(5S)-5-ethenyl-1,3-oxazolidine-2-thione
UNII (FDA)7Q618OJ6K9

Computed descriptors

Molecular Weight129.18
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.02483502
Monoisotopic Mass129.02483502
Topological Polar Surface Area53.4
Heavy Atom Count8

Physicochemical values on record

Melting Point50 °C
Dissociation ConstantspKa = 10.5

Documented uses on record

    A thyroid toxin found in the seeds of various Brassica and Cruciferae species; [Merck Index]An antithyroid cmpd isolated from seeds of different species of Brassica, Cruciferae: Astwood et al., J. Biol. Chem. 181,121 (1949); Greer, J. Am. Chem. Soc., 78, 1260 (1956)

    Synonyms and trade names

    Goitrin; 500-12-9; (S)-5-Vinyloxazolidine-2-thione; Goitrin, L-; Goitrin, l; 5-vinyl-2-thiooxazolidone; (5S)-5-ethenyl-1,3-oxazolidine-2-thione; (S)-5-Ethenyl-2-oxazolidinethione; (-)-5-Vinyl-2-oxazolidinethione; 7Q618OJ6K9; (5S)-5-Ethenyl-2-oxazolidinethione; 2-Oxazolidinethione, 5-ethenyl-, (S)-; L-5-Vinyl-2-thiooxazolidone; L-5-Vinyl-2-oxazolidinethione; DTXSID501032368; 2-Oxazolidinethione, 5-ethenyl-,(s)-

    What the public record says

    DL-GOITRIN · CAS 500-12-9 · C5H7NOS. UNII 7Q618OJ6K9. Melting Point: 50 °C; Dissociation Constants: pKa = 10.5.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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