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(3-Methylthietan-3-yl)methanol , CAS No.57523-13-4

COA

Cas Number: 57523-13-4
Molecular Weight: 118.2
PubChem CID: 15773547

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Item Number

M171059

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SKU	Size	Availability	Price	Qty
M171059-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,584.90

Discover (3-Methylthietan-3-yl)methanol by Aladdin Scientific in for only $3,584.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(3-methylthietan-3-yl)methanol \| 57523-13-4 \| MFCD19982771 \| 3-Thietanemethanol, 3-methyl- \| 3-Methylthietane-3-methanol \| SCHEMBL7264906 \| 3-hydroxymethyl-3-methylthietane \| DGKBZCVRJYWBAE-UHFFFAOYSA-N \| AKOS015998073 \| LS-07020 \| SY273832 \| (3-Methylthietan-3-yl)methanol, Al
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thietanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thietanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thietanes
Alternative Parents	Dialkylthioethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Thietane - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thietanes. These are heterocyclic compounds containing a saturated four-member ring with three carbon atoms and one sulfur 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	(3-methylthietan-3-yl)methanol
INCHI	InChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey	DGKBZCVRJYWBAE-UHFFFAOYSA-N
Smiles	CC1(CSC1)CO
Isomeric SMILES	CC1(CSC1)CO
Molecular Weight	118.2
Reaxy-Rn	1236381
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236381&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	118.200 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	118.045 Da
Monoisotopic Mass	118.045 Da
Topological Polar Surface Area	45.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	68.500
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

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