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1,3-DITHIOL-2-THION Molecular Structure
1,3-DITHIOL-2-THION Molecular Structure

1,3-DITHIOL-2-THION

IUPACName:1,3-dithiole-2-thione
CAS Registry Number: 930-35-8
Molekulargewicht:134.24
1. Namen und Bezeichner
1.1 Produktname
1,3-DITHIOL-2-THION
1.2 Synonyme

DithioleneVinylene trithiocarbonate 98%VINYLENE TRITHIOCARBONATE1,3-DITHIOLE-2-THIONE1,3-dithia-2-thioxo-cyclopent-4-ene1,3-Dithiol-2-thione1,3-dithiolethioneisotrithione

1.3 CAS Registry Number
930-35-8
1.4 CID
70254
1.5 EINECS-Nummer
213-215-1
1.6 Summenformel
C3H2S3 (isomer)
1.7 Inchi
InChI=1S/C3H2S3/c4-3-5-1-2-6-3/h1-2H
1.8 InchiKey
WYKJWNVWJOKVQP-UHFFFAOYSA-N
1.9 Kanonisch SMILES
C1=CSC(=S)S1
1.10 Isomere SMILES
C1=CSC(=S)S1
2. Eigenschaften
2.1 Dichte
1.56
2.2 Schmelzpunkt
48-50 ° C (beleuchtet)
2.3 Siedepunkt
122-126 ℃ (0.5-Torr)
2.4 Brechungsindex
1.806
2.5 Blitzpunkt
96.2 °C
2.6 PSA
88.57000
2.7 logP
2.53910
2.8 Löslich
几乎不溶 (0.04 g/L) (25 oC),
3. Sicherheit und Handhabung
3.1 S-Satz
22-24 / 25
3.2 WGK Deutschland
3
3.3 RTECS
JP1292125
3.4 Sicherheit und Gefahren
S-Satz  22-24 / 25
WGK Deutschland  3
RTECS  JP1292125
8-10-13
Hs Code  29309090
4. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

7. Computerchemische Daten
  • Masse moléculaire: 134.24298g/mol
  • Summenformel: C3H2S3
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2
  • Exact Mass: 133.93186358
  • Monoisotopic Mass: 133.93186358
  • Complexity: 84.2
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 82.7
  • Heavy Atom Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcQBAAABgAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAQAAAAAAACEQACAAAAAAAiEAAACAAAAAQAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Empfohlene Lieferanten
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1,3-Dithiole-2-Thione
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2024/06/17
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  • Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
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1,3-Dithiole-2-thione , 97%
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  • Time: 2019/06/12
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1,3-Dithiole-2-thione
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  • Time: 2019/02/25
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9. Realisierte Produktinformationen