2-Methylbutyl isothiocyanate

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Catalog Number

ACM4404517

Product Name

Structure

CAS

4404-51-7

Category

Heterocyclic Organic Compound

Synonyms

ZINC02169696, ZINC02169697, CID7005082, 4404-51-7

IUPAC Name

(2S)-1-isothiocyanato-2-methylbutane

Molecular Weight

129.22

Molecular Formula

C₆H₁₁NS

Canonical SMILES

CCC(C)CN=C=S

InChI Key

MKWQGOSIKKPMLW-LURJTMIESA-N

Boiling Point

84ºC

Density

0.95

Exact Mass

129.06100

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S45-S36-S37-S39

MSDS

COA

Spec Sheet

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