Basic Description

Synonyms	1-propan-2-ylthioxanthen-9-one \| 1025808-93-8 \| 1-(PROPAN-2-YL)-9H-THIOXANTHEN-9-ONE \| YIKSHDNOAYSSPX-UHFFFAOYSA-N \| DTXSID50430818 \| 1-(1-Methylethyl)-9H-thioxanthen-9-one \| C91670 \| Q63396232 \| AKOS025404697 \| Isopropylthioxanthone \| SCHEMBL52045 \| 2-is
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiochromenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiochromenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiochromenes
Alternative Parents	1-benzothiopyrans Benzenoids Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	1-propan-2-ylthioxanthen-9-one
INCHI	InChI=1S/C16H14OS/c1-10(2)11-7-5-9-14-15(11)16(17)12-6-3-4-8-13(12)18-14/h3-10H,1-2H3
InChIKey	YIKSHDNOAYSSPX-UHFFFAOYSA-N
Smiles	CC(C)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O
Isomeric SMILES	CC(C)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O
Molecular Weight	254.35
Reaxy-Rn	14271465
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14271465&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	254.300 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	254.077 Da
Monoisotopic Mass	254.077 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	325.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Rui Sun, Lu Wang, Dean Shi, Huiyan Wang, Lingjie Song. (2024) pH-activated antibacterial coating switching from polyzwitterion to polycation. PROGRESS IN ORGANIC COATINGS, 186 (108060).
2. Ziting Liu, Yaozhen Yi, Lingjie Song, Yuxiang Chen, Limei Tian, Jie Zhao, Luquan Ren. (2022) Biocompatible mechano-bactericidal nanopatterned surfaces with salt-responsive bacterial release. Acta Biomaterialia, 141 (198).

Solution Calculators

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SKU	Size	Availability	Price	Qty
I469633-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
I469633-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90

Isopropyl-9H-thioxanthen-9-one, mixture of 2- and 4-isomers - 97%, high purity , CAS No.75081-21-9