3334-05-2

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Chemistry

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Also known as: Thiolan-3-ol, Tetrahydrothiophen-3-ol, 3334-05-2, 3-hydroxytetrahydrothiophene, 79107-71-4, Tetrahydrothiophene-3-ol

Molecular Formula

C₄H₈OS

Molecular Weight

104.17 g/mol

InChI Key

BJYXNFYVCZIXQC-UHFFFAOYSA-N

1 2D Structure

3334-05-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

thiolan-3-ol

2.1.2 InChI

InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2

2.1.3 InChI Key

BJYXNFYVCZIXQC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CSCC1O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Thiolan-3-ol

2. Tetrahydrothiophen-3-ol

3. 3334-05-2

4. 3-hydroxytetrahydrothiophene

5. 79107-71-4

6. Tetrahydrothiophene-3-ol

7. Mfcd00121060

8. Tetrahydro-3-thiopheneol

9. Thiophene-3-ol, Tetrahydro-

10. 3-thiolanol

11. Nsc241152

12. Thiacyclopentane-3-ol

13. Tetrahydro-3-thiophenol #

14. Thiophene-3-ol,tetrahydro-

15. Schembl69923

16. Akos000249684

17. Akos016051617

18. Nsc-241152

19. Sb12141

20. Thiophene-3-ol, Tetrahydro-, (3r)-

21. As-54855

22. Sy185762

23. Db-007915

24. Am20090505

25. Cs-0185375

26. Ft-0650764

27. Ft-0653314

28. En300-66691

29. W10543

30. A839585

31. 4-(1h-1,2,4-triazol-1-ylmethyl)benzoicacid

32. Z1258955442

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈OS
Molecular Weight	104.17 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	104.02958605 g/mol
Monoisotopic Mass	104.02958605 g/mol
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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