1-Propanethiol(1-PP) - ≥98% , CAS No.107-03-9

CAS: 107-03-9 Cat. No.: P100008 Formula: C₃H₈S Molecular Weight: 76.16 Beilstein Registry Number: 1696860 EC Number: 203-455-5

GRADE & PURITY ≥98%

Synonyms

1-propanthiol | 1-Propylmercaptan | propan-1-thiol | Propyl mercaptan, analytical standard | F8880-8482 | Propylthiol | C08390 | J-001693 | n-Propylmercaptan | 1-propyl thiol | Propanethiols [UN2402] [Flammable liquid] | Q161679 | FEMA No. 3521 | Propanet

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

1-Propanethiol (1-PP) is an alkyl mercaptan, which can be used as a self-assembled monolayer (SAM) on a variety of nanoparticles. The propyl species and sulfur elements can be formed due to the presence of a carbon-sulfur (C-S) bond in 1-PP.
Application
1-PP can be used as a capping agent that improves the thermal stability and light absorption of silver nanoparticles (AgNPs), which can be incorporated into the perovskite solar cells.[3] Gallium-arsenic (Ga-As) can be surface functionalized with 1-PP and can be potentially used in the fabrication of group VI precusors and self-assembled electron beam resists in semiconductor industry. It can also form a SAM on gold(111) surface that may be used to immobilize macromolecules.

Specifications

Synonyms

1-propanthiol | 1-Propylmercaptan | propan-1-thiol | Propyl mercaptan, analytical standard | F8880-8482 | Propylthiol | C08390 | J-001693 | n-Propylmercaptan | 1-propyl thiol | Propanethiols [UN2402] [Flammable liquid] | Q161679 | FEMA No. 3521 | Propanet

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751485

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751485

Canonical Smiles

CCCS

IUPAC Name

propane-1-thiol

InChIKey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

INCHI

1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

Isomeric SMILES

CCCS

WGK Germany

3

RTECS

TZ7300000

UN Number

2402

Packing Group

II

Molecular Weight

76.16

Beilstein

1696860

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: alkanethiol

Data sources

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in ethanol, ether, etc.
• Sensitivity: Air sensitive
• Refractive Index: 1.438
• Flash Point(°F): 68℉
• Flash Point(°C): -20℃
• Boil Point(°C): 67.73°C
• Melt Point(°C): -113.3°C
• Molecular Weight: 76.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 76.0347 Da
• Monoisotopic Mass: 76.0347 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 7.200
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 107-03-9, the molecular formula is C3H8S, and the molecular weight is 76.16 g/mol. InChIKey SUVIGLJNEAMWEG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.