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Sigma-Aldrich

2-Methyl-1,3-dithiane

99%

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About This Item

Empirical Formula (Hill Notation):
C5H10S2
CAS Number:
6007-26-7
Molecular Weight:
134.26
Beilstein/REAXYS Number:
102766
EC Number:
227-859-6
MDL number:
MFCD00014652
UNSPSC Code:
12352100
PubChem Substance ID:
24862053
NACRES:
NA.22

assay

99%

form

liquid

refractive index

n20/D 1.560 (lit.)

bp

56-59 °C/3 mmHg (lit.)

density

1.121 g/mL at 25 °C (lit.)

SMILES string

CC1SCCCS1

InChI

1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3

InChI key

KXROTPXCYDXGSC-UHFFFAOYSA-N

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General description

2-Methyl-1,3-dithiane is a versatile acyl anion equivalent. Role of hyperconjugation in the conformational analysis of 2-methyl-1,3-dithiane has been reported.

Application

2-Methyl-1,3-dithiane is suitable for use in the preparation of potassium trifluoro(2-methyl-1,3-dithiano)borate.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Crystal structure of potassium trifluoro (2-methyl-1, 3-dithiano) borate, K (C5H9BF3S2).
Caracelli I, et al.
Zeitschrift fur Kristallographie - New Crystal Structures, 222(3), 345-347 (2007)
Adrien Schlachter et al.
Inorganic chemistry, 57(21), 13564-13576 (2018-10-23)
A structurally unique and strongly luminescent nonporous 3D coordination polymer (CP) [Cu8I8(methyldithiane)4] n, CP3, has been prepared in a quasi-anticipated manner from 2-methyl-1,3-dithiane, L1, and CuI. This CP incorporates an unprecedented Cu8I8 cluster built upon two side-fused open cubanes. The
Douglas S Ribeiro et al.
The Journal of organic chemistry, 68(17), 6780-6787 (2003-08-16)
Full geometry optimizations were carried out at the HF/6-31G** and B3LYP/6-31G** levels for methylcyclohexane, 2-, 3-, and 4-methyltetrahydropyran, 2-, 3-, and 4-methylpiperidine, 2-, 3-, and 4-methylthiane, 2-, 4-, and 5-methyl-1,3-dioxane, and 2-, 4-, and 5-methyl-1,3-dithiane and also for S-methyl thianium.
Amos B Smith et al.
Journal of the American Chemical Society, 128(1), 66-67 (2006-01-05)
An effective one-flask multicomponent linchpin coupling protocol employing the concept of anion relay chemistry (ARC) was developed. This concept calls for addition of an anion (5) to an epoxide (6), bearing on a distal carbon a trialkyl silyl group and

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