Methyl L-2-isothiocyanato-4-(methylthio)butyrate

CAS 21055-47-0C7H11NO2S2MW 205.3

Methyl L-2-isothiocyanato-4-(methylthio)butyrate (CAS 21055-47-0) — formula C7H11NO2S2, molecular weight 205.3; category organic chemicals.

Product Overview

CAS Number	21055-47-0
Molecular Formula	C7H11NO2S2
Molecular Weight	205.3
LogP	2.7
Category	Organic Chemicals

Technical Profile

What this product is

Methyl L-2-isothiocyanato-4-(methylthio)butyrate is a carbon-based organic compound with CAS registry number 21055-47-0 and molecular formula C7H11NO2S2 (molecular weight 205.3), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 21055-47-0

Its molecular formula C7H11NO2S2 comprises 7 C, 11 H, 1 N, 2 O, 2 S atoms.

Also known as: Methyl L-2-isothiocyanato-4-(methylthio)butyrate · 2-硫代异氰酸邻-4-(甲巯基)丁酸甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Methyl L-2-isothiocyanato-4-(methylthio)butyrate?

The CAS registry number of Methyl L-2-isothiocyanato-4-(methylthio)butyrate is 21055-47-0.

What is the molecular formula and molecular weight of Methyl L-2-isothiocyanato-4-(methylthio)butyrate?

Molecular formula C7H11NO2S2, molecular weight 205.3.

What other names is Methyl L-2-isothiocyanato-4-(methylthio)butyrate known by?

It is also registered under: Methyl L-2-isothiocyanato-4-(methylthio)butyrate, 2-硫代异氰酸邻-4-(甲巯基)丁酸甲酯.

Which category does Methyl L-2-isothiocyanato-4-(methylthio)butyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Methyl L-2-isothiocyanato-4-(methylthio)butyrate (CAS 21055-47-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号	21055-47-0
PubChem CID	140796
分子式	C7H11NO2S2
IUPAC 名称	methyl 2-isothiocyanato-4-methylsulfanylbutanoate

Computed descriptors

Molecular Weight	205.3
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	205.02312094
Monoisotopic Mass	205.02312094
Topological Polar Surface Area	96.1
Heavy Atom Count	12

Synonyms and trade names

21055-47-0; Methyl 2-isothiocyanato-4-(methylthio)butyrate; Methyl 2-isothiocyanato-4-(methylsulfanyl)butanoate; methyl 2-isothiocyanato-4-methylsulfanylbutanoate; methionine, N-carbonothioyl-, methyl ester; methyl 2-isothiocyanato-4-(methylthio)butanoate; methyl N-(thioxomethylene)methioninate; SCHEMBL28216410; DTXSID20943364; HNBACGFGPNFPAF-UHFFFAOYSA-N; ALBB-014380; MFCD00060386; STK711162; AKOS001416939; AKOS016890723; methyl N-(thioxomethylidene)methioninate

GHS hazard classification

已通报的危害声明	H315 (100%), H319 (100%), H335 (100%)

What the public record says

2-硫代异氰酸邻-4-(甲巯基)丁酸甲酯 · CAS 21055-47-0 · C7H11NO2S2.

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

Methyl L-2-isothiocyanato-4-(methylthio)butyrate

Product Overview

Technical Profile

What this product is

Identification

Frequently Asked Questions

PubChem Public Data

Registry identifiers across databases

Computed descriptors

Synonyms and trade names

GHS hazard classification

What the public record says

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