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2-Methyl-1-propanethiol - 98%, high purity , CAS No.513-44-0

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 513-44-0
Molecular Weight: 90.19
Beilstein Registry Number: 1730890
EC Number: 208-162-6
MDL number: MFCD00004882
PubChem CID: 10558

In stock

Item Number

M102325

Grouped product items
SKU	Size	Availability	Price
M102325-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M102325-25ml	25ml	2	$23.90
M102325-100ml	100ml	1	$85.90
M102325-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$196.90

View related series

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

Basic Description

Synonyms	BDFAOUQQXJIZDG-UHFFFAOYSA- \| Isobutyl mercaptan \| 1-Propanethiol, 2-methyl- \| 2-Methyl propanethiol \| M0404 \| EN300-20684 \| EINECS 208-162-6 \| 2-Methylpropane-1-thiol \| MFCD00004882 \| 1-Isobutanethiol \| BRN 1730890 \| iso-butyl thiol \| UNII-9H070UFP2X \| AK
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2-methyl-1-propanethiol attaches with L-Cys (the carrier) via a disulfide bond to form the brain-targeted drug delivery systems (BTDS)

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	2-methylpropane-1-thiol
INCHI	InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey	BDFAOUQQXJIZDG-UHFFFAOYSA-N
Smiles	CC(C)CS
Isomeric SMILES	CC(C)CS
WGK Germany	3
RTECS	TZ7630000
UN Number	2347
Packing Group	II
Molecular Weight	90.19
Beilstein	1730890
Reaxy-Rn	1730890
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730890&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.

4 results found

Lot Number	Certificate Type	Date	Item
D1711092	Certificate of Analysis	Dec 16, 2024	M102325
H2423043	Certificate of Analysis	Aug 28, 2024	M102325
H2423100	Certificate of Analysis	Jun 27, 2024	M102325
H2423101	Certificate of Analysis	Jun 27, 2024	M102325

Chemical and Physical Properties

Solubility	Slightly soluble in water; Soluble in Alcohol,Ether
Refractive Index	1.4385
Flash Point(°F)	-10 °C
Flash Point(°C)	-10°C
Boil Point(°C)	87-89 °C
Molecular Weight	90.190 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	17.600
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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