25984-63-8

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2 Suppliers, 2 End Use APIs, 39 Related Intermediates

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2 End Use APIs
39 Related Intermediates

Chemistry

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Also known as: 25984-63-8, 4-hydroxybenzothioamide, 4-hydroxy thiobenzamide, 4-hydroxybenzenecarbothioamide, Benzenecarbothioamide, 4-hydroxy-, 4-hydroxybenzene-1-carbothioamide

Molecular Formula

C₇H₇NOS

Molecular Weight

153.20 g/mol

InChI Key

VDTNKXSVUGXUOJ-UHFFFAOYSA-N

FDA UNII

ZZ8JR2736Y

1 2D Structure

CAS 25984-63-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxybenzenecarbothioamide

2.1.2 InChI

InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)

2.1.3 InChI Key

VDTNKXSVUGXUOJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=S)N)O

2.2 Other Identifiers

2.2.1 UNII

ZZ8JR2736Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 25984-63-8

2. 4-hydroxybenzothioamide

3. 4-hydroxy Thiobenzamide

4. 4-hydroxybenzenecarbothioamide

5. Benzenecarbothioamide, 4-hydroxy-

6. 4-hydroxybenzene-1-carbothioamide

7. Zz8jr2736y

8. Mfcd04973332

9. P-hydroxythiobenzamide

10. 4-hydroxy-thiobenzamide

11. 4-hydroxythio-benzamide

12. Unii-zz8jr2736y

13. Schembl469734

14. Chembl2441358

15. Dtxsid40420703

16. Vdtnkxsvugxuoj-uhfffaoysa-n

17. Hms1728o12

18. 4-hydroxythiobenzamide, Aldrichcpr

19. Bcp12826

20. Bbl010014

21. Stk801400

22. Akos000200442

23. Ab21285

24. Ac-5907

25. Cs-w018071

26. Gs-3132

27. Sy030992

28. A5174

29. Am20090771

30. Ft-0600967

31. H1308

32. En300-13412

33. A818133

34. J-515515

35. Z90124534

36. 4-[amino(mercapto)methylidene]-1-cyclohexa-2,5-dienone

37. 4-[azanyl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₇NOS
Molecular Weight	153.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	78.3
Heavy Atom Count	10
Formal Charge	0
Complexity	130
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