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

CAS: 513-44-0 Cat. No.: M102325 Summenformel: C4H10S Molekulargewicht: 90.19 Beilstein Registry Number: 1730890 EG-Nummer: 208-162-6
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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
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Size
Deutschland (EU)
USA*
Price
Qty
5ml
M102325-5ml
—
2 Auf Lager
8,59€
25ml
M102325-25ml
—
2 Auf Lager
23,34€
100ml
M102325-100ml
—
3 Auf Lager
76,27€
500ml
M102325-500ml
Auf Bestellung · 8–12 Wochen
205,57€
Enter a quantity for the sizes you want to add.
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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.

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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.

Übersicht

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

Specifications

Synonyme
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
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
FedEx DG Service
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid508813401
Kanonisches LächelnCC(C)CS
IUPAC Name2-methylpropane-1-thiol
InChIKeyBDFAOUQQXJIZDG-UHFFFAOYSA-N
INCHI1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
Isomere SMILES CC(C)CS
WGK Deutschland 3
RTECS TZ7630000
UN-Nummer 2347
Verpackungsgruppe II
Molekulargewicht 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
KlasseThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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 TypeDatumArtikel
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
Chemische und physikalische Eigenschaften
LöslichkeitSlightly soluble in water; Soluble in Alcohol,Ether
Brechungsindex1.4385
Flammpunkt (°F)-10 °C
Flammpunkt (°C)-10°C
Siedepunkt (°C)87-89 °C
Molekulargewicht90.190 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
Referenzen
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]
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