1-Ethyl-3-(3,4,5-trimethoxyphenylthio)-1-(2-thienyl)propyl isocyanide

HCID 10691010
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Basic information

Standard SMILES
[C-]#[N+]C(CC)(CCSc1cc(OC)c(OC)c(OC)c1)c1cccs1
InChIKey
HFWXTXBYTAMQDA-UHFFFAOYSA-N
Molecular formula
C19H23NO3S2
Average molar mass
377.5 g/mol

Names & identifiers

Preferred name
1-Ethyl-3-(3,4,5-trimethoxyphenylthio)-1-(2-thienyl)propyl isocyanide
IUPAC
2-[3-isocyano-1-(3,4,5-trimethoxyphenyl)sulfanylpentan-3-yl]thiophene

Names & synonyms

SCHEMBL9833569HFWXTXBYTAMQDA-UHFFFAOYSA-N1-ethyl-3-(3,4,5-trimethoxyphenylthio)-1-(2-thienyl)propyl isocyanide

Database identifiers

PubChem CID
10691010

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
85.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
25

Related reactions

4 records
New reaction record

Compound notes

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