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1-Butanethiol - standard for GC,≥99%(GC), high purity , CAS No.109-79-5

30 Citations

COA

Grade & Purity:

Standard for GC

≥99%(GC)

Cas Number: 109-79-5
Molecular Weight: 90.19
Beilstein Registry Number: 1730908
EC Number: 203-705-3
MDL number: MFCD00004905
PubChem CID: 8012

In stock

Item Number

B105716

Grouped product items
SKU	Size	Availability	Price	Qty
B105716-5ml	5ml	2	$32.90

View related series

Sulfur-containing compounds [non heterocyclic blocks (4)

Basic Description

Synonyms	1-Butanethiol \| Butanethiol \| butane-1-thiol \| 109-79-5 \| BUTYL MERCAPTAN \| n-Butyl mercaptan \| n-Butanethiol \| Butylthiol \| Thiobutyl alcohol \| n-Butylmercaptan \| 1-Mercaptobutane \| 1-Butyl mercaptan \| butylmercaptan \| n-Butyl thioalcohol \| n-Butylthiol \| Bear skunk \| Normal butyl thio
Specifications & Purity	Standard for GC, ≥99%(GC)
Storage Temp	Room temperature,Argon charged
Shipped In	Normal
Grade	Standard for GC

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	butane-1-thiol
INCHI	InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey	WQAQPCDUOCURKW-UHFFFAOYSA-N
Smiles	CCCCS
Isomeric SMILES	CCCCS
WGK Germany	3
RTECS	EK6300000
UN Number	2347
Packing Group	II
Molecular Weight	90.19
Beilstein	1730908
Reaxy-Rn	1730908
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730908&ln=

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

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Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K2404488	Certificate of Analysis	Nov 11, 2024	B105716
J2430402	Certificate of Analysis	Oct 21, 2024	B105716
A2303145	Certificate of Analysis	Dec 13, 2022	B105716
D2122099	Certificate of Analysis	Apr 09, 2021	B105716

Chemical and Physical Properties

Solubility	Slightly soluble in water, easily soluble in ethanol, ether, etc.
Sensitivity	Air Sensitive
Refractive Index	1.4410 to 1.4450
Flash Point(°F)	35.6℉
Flash Point(°C)	2℃
Boil Point(°C)	98.4°C
Melt Point(°C)	-116°C
Molecular Weight	90.190 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	90.0503 Da
Monoisotopic Mass	90.0503 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.100
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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