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3,5-Dichlorobenzenesulfenyl chloride

HCID 10130573
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
ClSc1cc(Cl)cc(Cl)c1
InChIKey
AHQRTNSRMYQNSW-UHFFFAOYSA-N
Molecular formula
C6H3Cl3S
Average molar mass
213.5 g/mol

Names & identifiers

Preferred name
3,5-Dichlorobenzenesulfenyl chloride
IUPAC
(3,5-dichlorophenyl) thiohypochlorite

Names & synonyms

3,5-dichlorobenzenesulfenyl chloride74282-78-3SCHEMBL4123128AHQRTNSRMYQNSW-UHFFFAOYSA-N

Database identifiers

PubChem CID
10130573

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
99.2

Related reactions

7 records
New reaction record
HRID 8403 reaction equation
HRID 8403As reactantuspto-grants-2006_08
HRID 8404 reaction equation
HRID 8404As reactantuspto-grants-2006_08
HRID 8406 reaction equation
HRID 8406As reactantuspto-grants-2006_08
HRID 8408 reaction equation
HRID 8408As reactantuspto-grants-2006_08
HRID 662372 reaction equation
HRID 662372As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 948565 reaction equation
HRID 948565As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2321199 reaction equation
HRID 2321199As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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