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2-Methyl-3-(2-thenoyl)hydratroponitrile

HCID 21391787
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(C(=O)c2cccs2)cccc1C(C)C#N
InChIKey
TTZVKWLTHRZUOF-UHFFFAOYSA-N
Molecular formula
C15H13NOS
Average molar mass
255.3 g/mol
Monoisotopic mass
255.07178521

Names & identifiers

Preferred name
2-Methyl-3-(2-thenoyl)hydratroponitrile
IUPAC
2-[2-methyl-3-(thiophene-2-carbonyl)phenyl]propanenitrile

Names & synonyms

SCHEMBL11706394TTZVKWLTHRZUOF-UHFFFAOYSA-N2-methyl-3-(2-thenoyl)hydratroponitrile

Database identifiers

PubChem CID
21391787

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
69.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
359

Related reactions

4 records
New reaction record
HRID 91750 reaction equation
HRID 91750As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 258928 reaction equation
HRID 258928As reactantuspto-grants-1977_07
HRID 461739 reaction equation
HRID 461739As reactantuspto-grants-1977_12
HRID 1439580 reaction equation
HRID 1439580As reactantuspto-grants-1977_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes