Name: Name:1-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde
Brand: Angene
SKU: AG019ZY7
Rating: 90 (10 reviews)

1-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:

1184038-95-6

Catalog Number:

AG019ZY7

Molecular Formula:

C9H12N2O3S

Molecular Weight:

228.2682

Catalog Number:

AG019ZY7

Chemical Name:

1-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde

CAS Number:

1184038-95-6

Molecular Formula:

C9H12N2O3S

Molecular Weight:

228.2682

MDL Number:

MFCD12768931

IUPAC Name:

1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde

InChI:

InChI=1S/C9H12N2O3S/c1-9(2-3-15(13,14)7-9)11-5-8(6-12)4-10-11/h4-6H,2-3,7H2,1H3

InChI Key:

HWEXSLBZARXDLQ-UHFFFAOYSA-N

SMILES:

O=Cc1cnn(c1)C1(C)CCS(=O)(=O)C1

Complexity:

362

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.266g/mol

Monoisotopic Mass:

228.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6