3,3′-Thiodipropanol - ≥98% , CAS No.10595-09-2

CAS: 10595-09-2 Cat. No.: T472193 Molecular Weight: 150.24 EC Number: 234-202-7 PubChem CID: 66358

GRADE & PURITY ≥98%

Synonyms

EINECS 284-094-0 | 3,3'-Sulfanediyldi(propan-1-ol) | 3,3'-Thiodipropan-1-ol | NSC 46435 | hydroxypropyl sulfide | 3,3'-Thiobis(propan-1-ol) | 3,3'-thiodi-1-propanol | SB85144 | Thiodipropanol | 1-Propanol, 3,3'-thiobis- | J-001505 | EINECS 234-202-7 | 3,3

Storage

Room temperature

Overview

Description

3,3′-Thiodipropanol was used in the determination of thiodiglycol in groundwater by a highly sensitive analytical method.

Specifications

Synonyms

EINECS 284-094-0 | 3, 3'-Sulfanediyldi(propan-1-ol) | 3, 3'-Thiodipropan-1-ol | NSC 46435 | hydroxypropyl sulfide | 3, 3'-Thiobis(propan-1-ol) | 3, 3'-thiodi-1-propanol | SB85144 | Thiodipropanol | 1-Propanol, 3, 3'-thiobis- | J-001505 | EINECS 234-202-7 | 3, 3

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183786
• Canonical Smiles: C(CO)CSCCCO
• IUPAC Name: 3-(3-hydroxypropylsulfanyl)propan-1-ol
• InChIKey: QRQVZZMTKYXEKC-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
• Isomeric SMILES: C(CO)CSCCCO
• PubChem CID: 66358
• Molecular Weight: 150.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups.
• 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

• Refractive Index: n20/D 1.51 (lit.)
• Flash Point(°F): 235.4 °F - closed cup
• Flash Point(°C): 113 °C - closed cup
• Boil Point(°C): 140-142℃/0.5mmHg (lit.)
• Molecular Weight: 150.240 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 150.071 Da
• Monoisotopic Mass: 150.071 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 44.300
• 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