Name: Name:1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-one
Brand: Angene
SKU: AG01A3BC
Rating: 90 (10 reviews)

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-one

CAS No.:

1211513-13-1

Catalog Number:

AG01A3BC

Molecular Formula:

C9H11NOS

Molecular Weight:

181.2547

Catalog Number:

AG01A3BC

Chemical Name:

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethan-1-one

CAS Number:

1211513-13-1

Molecular Formula:

C9H11NOS

Molecular Weight:

181.2547

MDL Number:

MFCD18343967

IUPAC Name:

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanone

InChI:

InChI=1S/C9H11NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H2,1H3

InChI Key:

LGDFWZGIPTYALJ-UHFFFAOYSA-N

SMILES:

CC(=O)c1nc2c(s1)CCCC2

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.253g/mol

Monoisotopic Mass:

181.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1