4-Isothiocyanato-butyronitrile

HCID 15134644
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Basic information

Standard SMILES
N#CCCCN=C=S
InChIKey
VRPJLNOXVAKKNU-UHFFFAOYSA-N
Molecular formula
C5H6N2S
Average molar mass
126.18 g/mol
Monoisotopic mass
126.02516937

Names & identifiers

Preferred name
4-Isothiocyanato-butyronitrile
IUPAC
4-isothiocyanatobutanenitrile

Names & synonyms

4-isothiocyanato-butyronitrileSCHEMBL3090558VRPJLNOXVAKKNU-UHFFFAOYSA-N

Database identifiers

PubChem CID
15134644

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
8

Related reactions

1 records
New reaction record

Compound notes

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