(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one

Modify Date: 2024-02-01 11:07:06

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure
(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one structure
Common Name (3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
CAS Number 58755-08-1 Molecular Weight 335.38000
Density 1.36g/cm3 Boiling Point 577.1ºC at 760 mmHg
Molecular Formula C18H13N3O2S Melting Point N/A
MSDS N/A Flash Point 302.8ºC

 Names

Name (5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 577.1ºC at 760 mmHg
Molecular Formula C18H13N3O2S
Molecular Weight 335.38000
Flash Point 302.8ºC
Exact Mass 335.07300
PSA 84.73000
LogP 2.37430
Index of Refraction 1.701
InChIKey QDPJYAHUAMXELX-UHFFFAOYSA-N
SMILES COc1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1

 Safety Information

HS Code 2934100090

 Synthetic Route

~43%

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure

(3E)-3-[(4-meth...

CAS#:58755-08-1

Literature: Tozkoparan, Birsen; Kilcigil, Guelguen Ayhan; Ertan, Rahmiye; Ertan, Mevluet; Kelicen, Pelin; Demirdamar, Ruemeysa Arzneimittel-Forschung/Drug Research, 1999 , vol. 49, # 12 p. 1006 - 1011

~%

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure

(3E)-3-[(4-meth...

CAS#:58755-08-1

Literature: Tozkoparan, Birsen; Kilcigil, Guelguen Ayhan; Ertan, Rahmiye; Ertan, Mevluet; Kelicen, Pelin; Demirdamar, Ruemeysa Arzneimittel-Forschung/Drug Research, 1999 , vol. 49, # 12 p. 1006 - 1011

~%

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure

(3E)-3-[(4-meth...

CAS#:58755-08-1

Literature: Tozkoparan, Birsen; Kilcigil, Guelguen Ayhan; Ertan, Rahmiye; Ertan, Mevluet; Kelicen, Pelin; Demirdamar, Ruemeysa Arzneimittel-Forschung/Drug Research, 1999 , vol. 49, # 12 p. 1006 - 1011

~%

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure

(3E)-3-[(4-meth...

CAS#:58755-08-1

Literature: Ali,M.I. et al. Journal fuer Praktische Chemie (Leipzig), 1976 , vol. 318, p. 12 - 18

~%

(3E)-3-[(4-methoxyphenyl)methylidene]-7-phenyl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one Structure

(3E)-3-[(4-meth...

CAS#:58755-08-1

Literature: Ali,M.I. et al. Journal fuer Praktische Chemie (Leipzig), 1976 , vol. 318, p. 12 - 18

 Customs

HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
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