Pentanoic acid,2-isothiocyanato-4-methyl-,methyl ester

Catalog Number

ACM21055436

Product Name

Pentanoic acid,2-isothiocyanato-4-methyl-,methyl ester

Structure

CAS

21055-43-6

Category

Heterocyclic Organic Compound

Synonyms

(2s)-2-isothiocyanato-4-methyl-pentanoic acid methyl ester, 21055-43-6, Methyl L-2-isothiocyanato-4-methylvalerate, methyl (2S)-2-isothiocyanato-4-methylpentanoate, 206761-74-2, ZINC04268896, PubChem11536, AC1OG3RD, MolPort-002-497-913, AKOS006343972, KB-105319, FT-0603923, FT-0638078, A815103, methyl (2S)-2-isothiocyanato-4-methyl-pentanoate, (2S)-2-isothiocyanato-4-methylpentanoic acid methyl ester

IUPAC Name

methyl (2S)-2-isothiocyanato-4-methylpentanoate

Molecular Weight

187.26

Molecular Formula

C₈H₁₃NO₂S

Canonical SMILES

CC(C)CC(C(=O)OC)N=C=S

InChI Key

GKWLTOCCLNATHO-ZETCQYMHSA-N

Boiling Point

249ºC at 760mmHg

Flash Point

104.4ºC

Density

1.06g/cm³

Exact Mass

187.06700

H-Bond Acceptor

4

H-Bond Donor

0

Safety Description

26-36/37/39

MSDS

COA

Spec Sheet