Name: Name:1H-Pyrazole-4-carboxaldehyde,5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-
Brand: Angene
SKU: AG008BTQ
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxaldehyde,5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-

CAS No.:

885-44-9

Catalog Number:

AG008BTQ

Molecular Formula:

C9H11ClN2O3S

Molecular Weight:

262.7132

Catalog Number:

AG008BTQ

Chemical Name:

1H-Pyrazole-4-carboxaldehyde,5-chloro-3-methyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-

CAS Number:

885-44-9

Molecular Formula:

C9H11ClN2O3S

Molecular Weight:

262.7132

MDL Number:

MFCD05262939

IUPAC Name:

5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carbaldehyde

InChI:

InChI=1S/C9H11ClN2O3S/c1-6-8(4-13)9(10)12(11-6)7-2-3-16(14,15)5-7/h4,7H,2-3,5H2,1H3

InChI Key:

YKTNSBLXXKIXBS-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)nn(c1Cl)C1CCS(=O)(=O)C1

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.708g/mol

Monoisotopic Mass:

262.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5