Isobutylene Sulfide - ≥98%(GC) , CAS No.3772-13-2

CAS: 3772-13-2 Cat. No.: I157605 Molecular Weight: 88.17 EC Number: 678-553-8

GRADE & PURITY ≥98%(GC)

Synonyms

Isobutylene Sulfide | 2,2-Dimethylethylene Sulfide | D91159 | MFCD00191662 | 2-Methylpropylene Sulfide | DTXSID70191151 | FT-0755588 | I0461 | AKOS015842118 | Thiirane, 2,2-dimethyl- | EN300-115315 | Anglamol 23; Isobutenylene sulfide; Isobutylene sulfide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Isobutylene Sulfide | 2, 2-Dimethylethylene Sulfide | D91159 | MFCD00191662 | 2-Methylpropylene Sulfide | DTXSID70191151 | FT-0755588 | I0461 | AKOS015842118 | Thiirane, 2, 2-dimethyl- | EN300-115315 | Anglamol 23; Isobutenylene sulfide; Isobutylene sulfide

Specifications & Purity

≥98%(GC)

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

≥98%(GC)

Names and Identifiers

• Canonical Smiles: CC1(CS1)C
• IUPAC Name: 2,2-dimethylthiirane
• InChIKey: HGJOFJDIHKHKAU-UHFFFAOYSA-N
• INCHI: 1S/C4H8S/c1-4(2)3-5-4/h3H2,1-2H3
• Isomeric SMILES: CC1(CS1)C
• Molecular Weight: 88.17
• Reaxy-Rn: 102409
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiiranes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiiranes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiiranes
• Alternative Parents: Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dialkylthioether - Thioether - Thiirane - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiiranes. These are heterocyclic compounds containing a saturated three-member ring with two carbon atoms and one sulfur atom.
• 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: Air Sensitive,Heat Sensitive
• Refractive Index: 1.46
• Flash Point(°C): -3 °C
• Boil Point(°C): 86°C
• Molecular Weight: 88.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 88.0347 Da
• Monoisotopic Mass: 88.0347 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 47.600
• 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