Name: Name:2-(1,3-benzoxazol-2-ylsulfanyl)cyclohex-1-ene-1-carbaldehyde
Brand: Angene
SKU: AG00IF5S
Rating: 90 (10 reviews)

2-(1,3-benzoxazol-2-ylsulfanyl)cyclohex-1-ene-1-carbaldehyde

CAS No.:

885457-15-8

Catalog Number:

AG00IF5S

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

Catalog Number:

AG00IF5S

Chemical Name:

2-(1,3-benzoxazol-2-ylsulfanyl)cyclohex-1-ene-1-carbaldehyde

CAS Number:

885457-15-8

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

MDL Number:

MFCD06660572

IUPAC Name:

2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexene-1-carbaldehyde

InChI:

InChI=1S/C14H13NO2S/c16-9-10-5-1-4-8-13(10)18-14-15-11-6-2-3-7-12(11)17-14/h2-3,6-7,9H,1,4-5,8H2

InChI Key:

LUKPJXMBISIERV-UHFFFAOYSA-N

SMILES:

O=CC1=C(CCCC1)Sc1nc2c(o1)cccc2

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.323g/mol

Monoisotopic Mass:

259.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4