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

CAS: 513-44-0 Cat. No.: M102325 Fórmula: C4H10S Peso molecular: 90.19 Beilstein Registry Number: 1730890 Número EC: 208-162-6
Disponible para pedir
GRADE & PURITY ≥98%
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
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
Alemania (EU)
USA*
Price
Qty
5ml
M102325-5ml
—
2 Disponible
8,59€
25ml
M102325-25ml
—
2 Disponible
23,34€
100ml
M102325-100ml
—
3 Disponible
76,27€
500ml
M102325-500ml
Fabricado bajo pedido · 8–12 semanas
205,57€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

2-methyl-1-propanethiol attaches with L-Cys (the carrier) via a disulfide bond to form the brain-targeted drug delivery systems (BTDS)

Specifications

Sinónimos
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
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Pureza
≥98%
Nombres e identificadores
Pubchem Sid508813401
Sonrisas canónicasCC(C)CS
IUPAC Name2-methylpropane-1-thiol
InChIKeyBDFAOUQQXJIZDG-UHFFFAOYSA-N
INCHI1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
Isómeros SMILES CC(C)CS
WGK Alemania 3
RTECS TZ7630000
Número ONU 2347
Grupo de embalaje II
Peso molecular 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClaseThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

7 results found

Lot NumberCertificate TypeFechaArticulo
K2108735Certificate of AnalysisAug 12, 2025 M102325
D1711092Certificate of AnalysisDec 16, 2024 M102325
H2423043Certificate of AnalysisAug 28, 2024 M102325
C2609044Certificate of AnalysisJun 27, 2024 M102325
C2611123Certificate of AnalysisJun 27, 2024 M102325
H2423100Certificate of AnalysisJun 27, 2024 M102325
H2423101Certificate of AnalysisJun 27, 2024 M102325
Propiedades químicas y físicas
SolubilidadSlightly soluble in water; Soluble in Alcohol,Ether
Índice de refracción1.4385
Punto de inflamación (°F)-10 °C
Punto de inflamación (°C)-10°C
Punto de ebullición (°C)87-89 °C
Peso molecular90.190 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass90.0503 Da
Monoisotopic Mass90.0503 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count5
Formal Charge0
Complexity17.600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Yuhao Zhang, Mengmeng Liu, Liang Zhao, Suxin Liu, Jinsen Gao, Chunming Xu, Mingzhi Ma, Qingfei Meng.  (2021)  Modeling, simulation, and optimization for producing ultra-low sulfur and high-octane number gasoline by separation and conversion of fluid catalytic cracking naphtha.  FUEL,      [PMID:] [10.1016/j.fuel.2021.120740]
Calculadoras de soluciones
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