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

CAS: 513-44-0 Cat. No.: M102325 Formule: C4H10S Poids moléculaire: 90.19 Beilstein Registry Number: 1730890 Numéro CE: 208-162-6
DISPONIBLE À COMMANDE
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
Allemagne (EU)
USA*
Price
Qty
5ml
M102325-5ml
—
2 En stock
8,59€
25ml
M102325-25ml
—
2 En stock
23,34€
100ml
M102325-100ml
—
3 En stock
76,27€
500ml
M102325-500ml
Sur commande · 8–12 semaines
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.

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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.

Vue d’ensemble

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

Specifications

Synonymes
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
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Room temperature
Expédié en
FedEx DG Service
Pureté
≥98%
Noms et identifiants
Pubchem Sid508813401
Sourires canoniquesCC(C)CS
IUPAC Name2-methylpropane-1-thiol
InChIKeyBDFAOUQQXJIZDG-UHFFFAOYSA-N
INCHI1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
Isomères SMILES CC(C)CS
WGK Allemagne 3
RTECS TZ7630000
Numéro ONU 2347
Groupe d'emballage II
Poids moléculaire 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
ClasseThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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 TypeDateArticle
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
Propriétés chimiques et physiques
SolubilitéSlightly soluble in water; Soluble in Alcohol,Ether
Indice de réfraction1.4385
Point d'éclair (°F)-10 °C
Point d'éclair (°C)-10°C
Point d'ébullition (°C)87-89 °C
Poids moléculaire90.190 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
Références
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]
Calculateurs de solution
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