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About This Item
Empirical Formula (Hill Notation):
C5H10S2
CAS Number:
Molecular Weight:
134.26
Beilstein:
102766
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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 Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
167.0 °F - closed cup
Flash Point(C)
75 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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)
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
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
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