3,5-Dichloro-2-isothiocyanatopyridine

HCID 23340445

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 59180-89-1
Standard SMILES: S=C=Nc1ncc(Cl)cc1Cl
InChIKey: DKHLVVSSFRDDKS-UHFFFAOYSA-N
Molecular formula: C6H2Cl2N2S
Average molar mass: 205.06 g/mol
Monoisotopic mass: 203.93157442

Names & identifiers

Preferred name: 3,5-Dichloro-2-isothiocyanatopyridine
IUPAC: 3,5-dichloro-2-isothiocyanatopyridine

Names & synonyms

3,5-dichloro-2-isothiocyanatopyridine59180-89-1Pyridine, 3,5-dichloro-2-isothiocyanato-SCHEMBL557845DTXSID00633115DKHLVVSSFRDDKS-UHFFFAOYSA-NMFCD225575033,5 dichloro-2-pyridylisothiocyanate3,5-Dichloro-2-pyridylisothiocyanateSY328507A1-20409

Database identifiers

CAS: 59180-89-1
PubChem CID: 23340445
DTXSID: DTXSID00633115

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 181

Related reactions

19 records

New reaction record

HRID 27901As productuspto-grants-1980_09

HRID 27902As reactantuspto-grants-1980_09

HRID 250103As productuspto-grants-2011_01

HRID 250104As reactantuspto-grants-2011_01

HRID 304851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1140375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1398846As reactantuspto-grants-2014_12

HRID 1398863As productuspto-grants-2014_12

Compound notes

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