Sagar Life Sciences

CAS 542-85-8

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 542-85-8, Isothiocyanatoethane, Ethane, isothiocyanato-, Ethyl mustard oil, Ethylisothiocyanate, Isothiocyanic acid, ethyl ester

Molecular Formula

C₃H₅NS

Molecular Weight

87.15 g/mol

InChI Key

HBNYJWAFDZLWRS-UHFFFAOYSA-N

FDA UNII

3284MJ2T8P

1 2D Structure

CAS 542-85-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

isothiocyanatoethane

2.1.2 InChI

InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

2.1.3 InChI Key

HBNYJWAFDZLWRS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN=C=S

2.2 Other Identifiers

2.2.1 UNII

3284MJ2T8P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ethylisothiocyanate

2.3.2 Depositor-Supplied Synonyms

1. 542-85-8

2. Isothiocyanatoethane

3. Ethane, Isothiocyanato-

4. Ethyl Mustard Oil

5. Ethylisothiocyanate

6. Isothiocyanic Acid, Ethyl Ester

7. Isothiocyanato-ethane

8. Nsc-84212

9. Fema No. 4420

10. Chebi:85098

11. 3284mj2t8p

12. Ethyl Isothiocyanate, 97%

13. C3h5ns

14. Ccris 7323

15. Einecs 208-831-2

16. Nsc 84212

17. Unii-3284mj2t8p

18. Ai3-18428

19. Ethylisothio-cyanate

20. Mfcd00004820

21. 1-isothiocyanatoethane #

22. Isothiocyanic Acid Ethyl Ester

23. Chembl2251727

24. Dtxsid2060258

25. Ethyl Isothiocyanate [mi]

26. Ethyl Isothiocyanate [fhfi]

27. Bcp05940

28. Nsc84212

29. Zinc1736702

30. Stl194264

31. Akos000119775

32. Ft-0627522

33. I0188

34. En300-19657

35. D94745

36. J-521605

37. Q27158332

38. F0001-1427

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₅NS
Molecular Weight	87.15 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	44.4
Heavy Atom Count	5
Formal Charge	0
Complexity	53.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

542-85-8

Intermediate Name

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.

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