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1,4-Benzenedimethanethiol - 98%, high purity , CAS No.105-09-9

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 105-09-9
Molecular Weight: 170.3
Beilstein Registry Number: 6919
EC Number: 203-269-4
MDL number: MFCD00004872
PubChem CID: 66043
PubChem SID: 488183712

In stock

Item Number

B101791

Grouped product items
SKU	Size	Availability	Price
B101791-250mg	250mg	6	$34.90
B101791-1g	1g	2	$105.90
B101791-5g	5g	3	$315.90
B101791-25g	25g	4	$1,419.90
B101791-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$5,109.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	1,4-Benzenedimethanethiol, 98% \| alpha,alpha'-p-Xylenedithiol \| 1,4-Benzenebis(methanethiol) \| MFCD00004872 \| AC-16428 \| 1,4-Benzene dimethanethiol \| 10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N.1 \| EINECS 203-269-4 \| NCIOpen2_000587 \| T70041 \| 1,4-Benzenedimetha
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Alkylthiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	488183712
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183712
IUPAC Name	[4-(sulfanylmethyl)phenyl]methanethiol
INCHI	InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChIKey	IYPNRTQAOXLCQW-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CS)CS
Isomeric SMILES	C1=CC(=CC=C1CS)CS
WGK Germany	3
Molecular Weight	170.3
Beilstein	6919
Reaxy-Rn	1364036
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364036&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot Number	Certificate Type	Date	Item
J1217011	Certificate of Analysis	Jul 15, 2024	B101791
F2325307	Certificate of Analysis	May 22, 2023	B101791
F2325314	Certificate of Analysis	May 22, 2023	B101791
F2325315	Certificate of Analysis	May 22, 2023	B101791
F2325319	Certificate of Analysis	May 22, 2023	B101791
A2415217	Certificate of Analysis	May 22, 2023	B101791
F2325313	Certificate of Analysis	May 22, 2023	B101791
F2325306	Certificate of Analysis	May 22, 2023	B101791
F2325316	Certificate of Analysis	May 22, 2023	B101791
F2325317	Certificate of Analysis	May 22, 2023	B101791
F2325305	Certificate of Analysis	May 22, 2023	B101791
F2325318	Certificate of Analysis	May 22, 2023	B101791
C2309145	Certificate of Analysis	Mar 25, 2023	B101791

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Chemical and Physical Properties

Sensitivity	Air sensitive
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	156°C/12mmHg
Melt Point(°C)	45-46°C
Molecular Weight	170.300 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.022 Da
Monoisotopic Mass	170.022 Da
Topological Polar Surface Area	2.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	73.300
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

Citations of This Product

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