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1-Pentadecanethiol - >98.0%(GC), high purity , CAS No.25276-70-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 25276-70-4
Molecular Weight: 244.48
MDL number: MFCD00059147
PubChem CID: 91373

In stock

Item Number

P160537

Grouped product items
SKU	Size	Availability	Price	Qty
P160537-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
P160537-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90

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Material synthetic block (276) Thiols (34)

Basic Description

Synonyms	MFCD00059147 \| FT-0757822 \| n-Pentadecyl Mercaptan \| 1-Pentadecanethiol \| Pentadecyl Mercaptan \| DTXSID00179922 \| J-015903 \| SCHEMBL133113 \| AKOS028108541 \| N-PENTADECYLMERCAPTAN \| IGMQODZGDORXEN-UHFFFAOYSA-N \| Pentadecane-1-thiol \| P0836 \| EINECS 246-785
Specifications & Purity	≥98%(GC)
Shipped In	Normal

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	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkylthiol - Hydrocarbon derivative - 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	pentadecane-1-thiol
INCHI	InChI=1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKey	IGMQODZGDORXEN-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCS
Isomeric SMILES	CCCCCCCCCCCCCCCS
PubChem CID	91373
Molecular Weight	244.48
Reaxy-Rn	1744555

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
J2414819	Certificate of Analysis	Apr 13, 2024	P160537

Chemical and Physical Properties

Refractive Index	1.46
Boil Point(°C)	325°C(lit.)
Melt Point(°C)	22 °C
Molecular Weight	244.500 g/mol
XLogP3	7.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	244.222 Da
Monoisotopic Mass	244.222 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	112.000
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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