3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE

Modify Date: 2025-08-27 13:10:48

3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE Structure
3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE structure
 Common Name 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE
CAS Number 55727-23-6 Molecular Weight 216.32000
Density 1.239g/cm3 Boiling Point 387.2ºC at 760 mmHg
Molecular Formula C9H12O2S2 Melting Point 101.0 to 105.0 °C
MSDS N/A Flash Point 175.7ºC

 Names

Name 3-(1,3-dithian-2-ylidene)pentane-2,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.239g/cm3
Boiling Point 387.2ºC at 760 mmHg
Melting Point 101.0 to 105.0 °C
Molecular Formula C9H12O2S2
Molecular Weight 216.32000
Flash Point 175.7ºC
Exact Mass 216.02800
PSA 84.74000
LogP 2.24610
Index of Refraction 1.573
InChIKey PGPIRMKKHQOWIK-UHFFFAOYSA-N
SMILES CC(=O)C(C(C)=O)=C1SCCCS1

 Safety Information

HS Code 2934999090

 Synthetic Route

Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

1,3-Dibromopropane structure

1,3-Dibromopropane

CAS#:109-64-8

2,4-Pentandione structure

2,4-Pentandione

CAS#:123-54-6

~99%

3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE Structure

3-(1,3-DITHIAN-...

CAS#:55727-23-6

Literature: Yu, Haifeng; Liu, Qun; Yin, Yanbing; Fang, Qunxin; Zhang, Jingping; Dong, Dewen Synlett, 2004 , # 6 p. 999 - 1002
2-(2-chloropent-1-en-4-yn-3-ylidene)-1,3-dithiane structure

2-(2-chloropent...

CAS#:845776-96-7

~73%

3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE Structure

3-(1,3-DITHIAN-...

CAS#:55727-23-6

Literature: Dong, Dewen; Liu, Yingchun; Zhao, Yulong; Qi, Yimei; Wang, Zhuo; Liu, Qun Synthesis, 2005 , # 1 art. no. F09904SS, p. 85 - 91
2,4-dichloro-3-(1,3-propylenedithio-methylene)-penta-1,4-diene structure

2,4-dichloro-3-...

CAS#:628300-14-1

~67%

3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE Structure

3-(1,3-DITHIAN-...

CAS#:55727-23-6

Literature: Dong, Dewen; Liu, Yingchun; Zhao, Yulong; Qi, Yimei; Wang, Zhuo; Liu, Qun Synthesis, 2005 , # 1 art. no. F09904SS, p. 85 - 91
Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

2,4-Pentandione structure

2,4-Pentandione

CAS#:123-54-6

~%

3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE Structure

3-(1,3-DITHIAN-...

CAS#:55727-23-6

Literature: Journal of Organic Chemistry, , vol. 73, # 19 p. 7625 - 7630
Methanol structure

Methanol

CAS#:67-56-1

4-Nitrobenzaldehyde structure

4-Nitrobenzaldehyde

CAS#:555-16-8

2,4-dichloro-3-(1,3-propylenedithio-methylene)-penta-1,4-diene structure

2,4-dichloro-3-...

CAS#:628300-14-1

~0%

1-(dimethoxymethyl)-4-nitrobenzene structure

1-(dimethoxymet...

CAS#:881-67-4

Detail
Literature: Liu, Qun; Che, Guangbo; Yu, Haifeng; Liu, Yingchun; Zhang, Jingping; Zhang, Qian; Dong, Dewen Journal of Organic Chemistry, 2003 , vol. 68, # 23 p. 9148 - 9150

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: % protection of glutamate pyruvate transaminase level, against thioacetamide-induced ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL791956
Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
Name: % protection measured by glutamate oxaloacetate transaminase level, against thioaceta...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL791955
Name: Tested for hepatoprotective activity against thioacetamide-induced hepatic damage in ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL793531
Name: Tested for hepatoprotective activity against thioacetamide-induced hepatic damage in ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL793389
Name: Tested for hepatoprotective activity against thioacetamide-induced hepatic damage in ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL793390
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1

 Synonyms

MFCD01096981
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Chemsrc provides CAS#:55727-23-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE>> amp version: 3-(1,3-DITHIAN-2-YLIDENE)-PENTANE-2,4-DIONE

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