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3-(Ethylthio)propanol - 95%, high purity , CAS No.18721-61-4

COA

Grade & Purity:

≥95%

Cas Number: 18721-61-4
Molecular Weight: 120.21
MDL number: MFCD00236041
PubChem CID: 87762
PubChem SID: 488186439

In stock

Item Number

E300079

Grouped product items
SKU	Size	Availability	Price
E300079-1g	1g	3	$84.90
E300079-5g	5g	5	$267.90
E300079-25g	25g	2	$800.90

Basic Description

Synonyms	3-(Ethylthio)propanol \| 18721-61-4 \| 1-Propanol, 3-(ethylthio)- \| 3-(ethylthio)propan-1-ol \| 3-ethylsulfanylpropan-1-ol \| 3-(ethylsulfanyl)propan-1-ol \| GV26YUE5ZT \| 3-(ethylthio)-1-propanol \| NSC-139001 \| Ethyl 3-hydroxypropyl sulfide \| EINECS 242-534-9 \| NSC139001 \| UNII-GV26Y
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Dialkylthioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Dialkylthioethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkylthioethers
Alternative Parents	Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
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

Pubchem Sid	488186439
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186439
IUPAC Name	3-ethylsulfanylpropan-1-ol
INCHI	InChI=1S/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKey	KRUJXSIEMOWXOF-UHFFFAOYSA-N
Smiles	CCSCCCO
Isomeric SMILES	CCSCCCO
Molecular Weight	120.21
Reaxy-Rn	1732293
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732293&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
E2323798	Certificate of Analysis	Apr 17, 2023	E300079
E2323319	Certificate of Analysis	Apr 17, 2023	E300079
E2323761	Certificate of Analysis	Apr 17, 2023	E300079
E2323802	Certificate of Analysis	Apr 17, 2023	E300079
E2323599	Certificate of Analysis	Apr 17, 2023	E300079
E2323604	Certificate of Analysis	Apr 17, 2023	E300079

Chemical and Physical Properties

Flash Point(°F)	167°F
Flash Point(°C)	75°C
Boil Point(°C)	227-228°
Molecular Weight	120.220 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	120.061 Da
Monoisotopic Mass	120.061 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	31.300
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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