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3-Bromopropane-1-thiol - ≥95%, high purity , CAS No.75694-39-2

COA

Grade & Purity:

≥95%

Cas Number: 75694-39-2
Molecular Weight: 155.06
EC Number: 860-343-4
PubChem CID: 144740

In stock

Item Number

B695919

Grouped product items
SKU	Size	Availability	Price	Qty
B695919-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,721.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thiols
    - Subclass Alkylthiols

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thiols
Subclass	Alkylthiols
Intermediate Tree Nodes	Not available
Direct Parent	Alkylthiols
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkylthiol - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-bromopropane-1-thiol
INCHI	InChI=1S/C3H7BrS/c4-2-1-3-5/h5H,1-3H2
InChIKey	PLMNEJBJFZHNGF-UHFFFAOYSA-N
Smiles	C(CS)CBr
Isomeric SMILES	C(CS)CBr
Alternate CAS	75694-39-2
PubChem CID	144740
Molecular Weight	155.06

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	155.060 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	153.945 Da
Monoisotopic Mass	153.945 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	16.400
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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