1 2D Structure

2D Structure

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 Formula	C₇H₇NS
Molecular Weight	137.20 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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

4433-52-7