3-Amino-1-propanethiol hydrochloride - ≥95% , CAS No.7211-54-3

CAS: 7211-54-3 Cat. No.: A476835 Molecular Weight: 127.64 EC Number: 230-593-3

GRADE & PURITY ≥95%

Synonyms

AKOS026742050 | MFCD00137453 | 3-Aminopropane-1-thiol--hydrogen chloride (1/1) | GMEDUXHKSSWXSL-UHFFFAOYSA-N | SCHEMBL2572827 | EN300-95946 | EINECS 230-593-3 | BD4K8XQ3LV | 3-Aminopropanethiol hydrochloride | 3-Aminopropane-1-thiol HCl | 3-aminopropane-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

3-Amino-1-propanethiol hydrochloride (APT) is an aminoalkylthiol that forms a self-assembled monolayer (SAM) of amine terminated alkanethiol. It can be used to form a spacer layer that provides a gap between the metal surface and nanoparticles.

Specifications

Synonyms

AKOS026742050 | MFCD00137453 | 3-Aminopropane-1-thiol--hydrogen chloride (1/1) | GMEDUXHKSSWXSL-UHFFFAOYSA-N | SCHEMBL2572827 | EN300-95946 | EINECS 230-593-3 | BD4K8XQ3LV | 3-Aminopropanethiol hydrochloride | 3-Aminopropane-1-thiol HCl | 3-aminopropane-1

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504757797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757797
• Canonical Smiles: C(CN)CS.Cl
• IUPAC Name: 3-aminopropane-1-thiol;hydrochloride
• InChIKey: GMEDUXHKSSWXSL-UHFFFAOYSA-N
• INCHI: 1S/C3H9NS.ClH/c4-2-1-3-5;/h5H,1-4H2;1H
• Isomeric SMILES: C(CN)CS.Cl
• UN Number: 3335
• Molecular Weight: 127.64
• Reaxy-Rn: 3664691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3664691&ln=

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: Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - 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

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

Chemical and Physical Properties

• Sensitivity: moisture sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 80-85℃
• Molecular Weight: 127.640 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 127.022 Da
• Monoisotopic Mass: 127.022 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 16.400
• 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: 2

XLogP3

References

1. Arabi Maryam, Ostovan Abbas, Wang Yunqing, Mei Rongchao, Fu Longwen, Li Jinhua, Wang Xiaoyan, Chen Lingxin.  (2022)  Chiral molecular imprinting-based SERS detection strategy for absolute enantiomeric discrimination.  Nature Communications,  13  (1): (1-14).  [PMID:36180485] [10.1038/s41467-022-33448-w]