Name: Name:2H,3H,4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-one
Brand: Angene
SKU: AG01AAIJ
Rating: 90 (10 reviews)

2H,3H,4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-one

CAS No.:

57001-16-8

Catalog Number:

AG01AAIJ

Molecular Formula:

C8H11NOS

Molecular Weight:

169.2440

Catalog Number:

AG01AAIJ

Chemical Name:

2H,3H,4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-one

CAS Number:

57001-16-8

Molecular Formula:

C8H11NOS

Molecular Weight:

169.2440

MDL Number:

MFCD11632137

IUPAC Name:

3,4,5,6,7,8-hexahydrocyclohepta[d][1,3]thiazol-2-one

InChI:

InChI=1S/C8H11NOS/c10-8-9-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H,9,10)

InChI Key:

VGXLWHYMJAQRHX-UHFFFAOYSA-N

SMILES:

O=c1sc2c([nH]1)CCCCC2

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.242g/mol

Monoisotopic Mass:

169.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8