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Structure

ethyl N-(thioxomethylene)valinate

CAS
26349-76-8
Catalog Number
ACM26349768
Category
Other Products
Molecular Weight
187.26
Molecular Formula
C8H13NO2S

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Specification

Synonyms
2-Isothiocyanato-3-methylbutyric acid ethyl ester, ethyl 2-isothiocyanato-3-methylbutanoate, 26349-76-8, AC1L7K53, CTK1A7920, NSC218420, SBB050955, AKOS006310077, AG-L-40785, NSC-218420, ethyl 2-isothiocyanato-3-methyl-butanoate
IUPAC Name
ethyl 2-isothiocyanato-3-methylbutanoate
Canonical SMILES
CCOC(=O)C(C(C)C)N=C=S
InChI Key
MWCPMVGNNCNZPM-UHFFFAOYSA-N
Boiling Point
249ºC at 760 mmHg
Flash Point
104.4ºC
Density
1.06g/cm³
Exact Mass
187.06700
H-Bond Acceptor
4
H-Bond Donor
0
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