5-Amino-3-methylisothiazole-4-carbonitrile

Modify Date: 2024-01-13 15:29:34

5-Amino-3-methylisothiazole-4-carbonitrile Structure
5-Amino-3-methylisothiazole-4-carbonitrile structure
Common Name 5-Amino-3-methylisothiazole-4-carbonitrile
CAS Number 41808-35-9 Molecular Weight 139.178
Density 1.4±0.1 g/cm3 Boiling Point 198.6±40.0 °C at 760 mmHg
Molecular Formula C5H5N3S Melting Point 202 °C
MSDS N/A Flash Point 73.9±27.3 °C

 Names

Name 5-amino-3-methyl-1,2-thiazole-4-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 198.6±40.0 °C at 760 mmHg
Melting Point 202 °C
Molecular Formula C5H5N3S
Molecular Weight 139.178
Flash Point 73.9±27.3 °C
Exact Mass 139.020416
PSA 90.94000
LogP 0.45
Vapour Pressure 0.4±0.4 mmHg at 25°C
Index of Refraction 1.610
Storage condition 2-8°C

 Safety Information

HS Code 2934999090

 Synthetic Route

~50%

5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ; Location in patent: Paragraph 0436 ;

~81%

5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: Theoclitou, Maria-Elena; Aquila, Brian; Block, Michael H.; Brassil, Patrick J.; Castriotta, Lillian; Code, Erin; Collins, Michael P.; Davies, Audrey M.; Deegan, Tracy; Ezhuthachan, Jayachandran; Filla, Sandra; Freed, Ellen; Hu, Haiqing; Huszar, Dennis; Jayaraman, Muthusamy; Lawson, Deborah; Lewis, Paula M; Nadella, Murali V. P.; Oza, Vibha; Padmanilayam, Maniyan; Pontz, Timothy; Ronco, Lucienne; Russell, Daniel; Whitston, David; Zheng, Xiaolan Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6734 - 6750

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5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;

~%

5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: Goerdeler,J.; Pohland,H.W. Chemische Berichte, 1963 , vol. 96, p. 526 - 533

~%

5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: Theoclitou, Maria-Elena; Aquila, Brian; Block, Michael H.; Brassil, Patrick J.; Castriotta, Lillian; Code, Erin; Collins, Michael P.; Davies, Audrey M.; Deegan, Tracy; Ezhuthachan, Jayachandran; Filla, Sandra; Freed, Ellen; Hu, Haiqing; Huszar, Dennis; Jayaraman, Muthusamy; Lawson, Deborah; Lewis, Paula M; Nadella, Murali V. P.; Oza, Vibha; Padmanilayam, Maniyan; Pontz, Timothy; Ronco, Lucienne; Russell, Daniel; Whitston, David; Zheng, Xiaolan Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6734 - 6750

~%

5-Amino-3-methylisothiazole-4-carbonitrile Structure

5-Amino-3-methy...

CAS#:41808-35-9

Literature: INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;

 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%

 Synonyms

5-Amino-3-methyl-1,2-thiazole-4-carbonitrile
5-Amino-3-methylisothiazole-4-carbonitrile
5-amino-3-methyl-4-isothiazolecarbonitrile
5-Amino-3-methyl-isothiazole-4-carbonitrile
4-Isothiazolecarbonitrile, 5-amino-3-methyl-
5-amino-4-cyano-3-methyl-isothiazole