1-Butanethiol - ≥97% , CAS No.109-79-5

CAS: 109-79-5 Cat. No.: B105717 Formule: C₄H₁₀S Poids moléculaire: 90.19 Beilstein Registry Number: 1730908 Numéro CE: 203-705-3

GRADE & PURITY ≥97%

Synonyms

n-butyl mercaptan, 1,2-(14)C,2-(35) S-labeled cpd | 1-BUTYL MERCAPTAN [HSDB] | AKOS009031443 | InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H | n-BuSH | A802088 | AI3-22954 | n-C4H9SH | EINECS 203-705-3 | EPA Pesticide Chemical Code 125001 | Caswell No. 119D | n-

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Vue d’ensemble

1-Butanethiol is used as a model gaseous analyte for fast-responding membrane-free amperometric gas sensor.

Specifications

Synonymes

n-butyl mercaptan, 1,2-(14)C,2-(35) S-labeled cpd | 1-BUTYL MERCAPTAN [HSDB] | AKOS009031443 | InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H | n-BuSH | A802088 | AI3-22954 | n-C4H9SH | EINECS 203-705-3 | EPA Pesticide Chemical Code 125001 | Caswell No. 119D | n-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504751543

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751543

Sourires canoniques

CCCCS

IUPAC Name

butane-1-thiol

InChIKey

WQAQPCDUOCURKW-UHFFFAOYSA-N

INCHI

1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

Isomères SMILES

CCCCS

WGK Allemagne

3

RTECS

EK6300000

Numéro ONU

2347

Groupe d'emballage

II

Poids moléculaire

90.19

Beilstein

1730908

Reaxy-Rn

1730908

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730908&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.59g/L at 20°C).
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.4410 to 1.4450
• Point d'éclair (°F): 35.6℉
• Point d'éclair (°C): 2℃
• Point d'ébullition (°C): 98.4°C
• Point de fusion (°C): -116°C
• Poids moléculaire: 90.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 90.0503 Da
• Monoisotopic Mass: 90.0503 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 13.100
• 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