Isothiocyanic acid, 3-oxo-1-butenyl ester (7CI)

Modify Date: 2025-09-12 20:12:35

Isothiocyanic acid, 3-oxo-1-butenyl ester (7CI) Structure
Isothiocyanic acid, 3-oxo-1-butenyl ester (7CI) structure
Common Name Isothiocyanic acid, 3-oxo-1-butenyl ester (7CI)
CAS Number 88511-34-6 Molecular Weight 127.16400
Density N/A Boiling Point N/A
Molecular Formula C5H5NOS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-isothiocyanatobut-3-en-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C5H5NOS
Molecular Weight 127.16400
Exact Mass 127.00900
PSA 61.52000
LogP 1.19190
InChIKey FGPIRSYXHXKMHD-UHFFFAOYSA-N
SMILES CC(=O)C=CN=C=S

 Synonyms

3-Buten-2-one,4-isothiocyanato
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