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Also known as: 2,3-dihydrobenzothiazole, 4433-52-7, 2,3-dihydro-1,3-benzothiazole, Benzothiazole, 2,3-dihydro-, T7b4556d2a, Nsc-81218
Molecular Formula
C7H7NS
Molecular Weight
137.20  g/mol
InChI Key
WOHLSTOWRAOMSG-UHFFFAOYSA-N
FDA UNII
T7B4556D2A

4433-52-7
1 2D Structure

4433-52-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dihydro-1,3-benzothiazole
2.1.2 InChI
InChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2
2.1.3 InChI Key
WOHLSTOWRAOMSG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1NC2=CC=CC=C2S1
2.2 Other Identifiers
2.2.1 UNII
T7B4556D2A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,3-dihydrobenzothiazole

2.3.2 Depositor-Supplied Synonyms

1. 2,3-dihydrobenzothiazole

2. 4433-52-7

3. 2,3-dihydro-1,3-benzothiazole

4. Benzothiazole, 2,3-dihydro-

5. T7b4556d2a

6. Nsc-81218

7. Schembl26747

8. Unii-t7b4556d2a

9. Dtxsid30196142

10. Wohlstowraomsg-uhfffaoysa-n

11. Nsc81218

12. Ccg-40423

13. Nsc 81218

14. Akos000282924

15. Db-001017

16. A845203

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 137.20 g/mol
Molecular Formula C7H7NS
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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