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4-Chlorobenzyl mercaptan

CAT: 1459-CS-DU-00208Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-DU-00208Size:1 Each
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Description
4-Chlorobenzyl mercaptan is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-DU-00208. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
6258-66-8
Synonyms
4-Chlorobenzyl mercaptan
Molecular Formula
C 7 H 7 ClS
Molecular Weight
158.64
Additionnal Information
4-Chlorobenzyl mercaptan is supplied with detailed characterization data compliant with regulatory guideline. 4-Chlorobenzyl mercaptan can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

4-Chlorobenzyl mercaptan
CAS Number6258-66-8
PubChem CID80409
IUPAC Name(4-chlorophenyl)methanethiol
Molecular FormulaC7H7ClS
Molecular Weight158.65
XLogP2.9
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity77
SMILES
C1=CC(=CC=C1CS)Cl
InChI
InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
GKQXPTHQTXCXEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzyl mercaptan
CAS: 6258-66-8
CID: 80409
Formula: C7H7ClS
MW: 158.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.65
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass157.9956991
Monoisotopic Mass157.9956991
Topological Polar Surface Area1 Ų
Heavy Atom Count9
Formal Charge0
Complexity77
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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