Name: Name:5-CHLOROPYRAZOLO[1,5-A]THIENO[2,3-E]PYRIMIDINE-3-CARBOXYLIC ACID
Brand: Angene
SKU: AG00FM0X
Rating: 90 (10 reviews)

5-CHLOROPYRAZOLO[1,5-A]THIENO[2,3-E]PYRIMIDINE-3-CARBOXYLIC ACID

CAS No.:

680210-93-9

Catalog Number:

AG00FM0X

Molecular Formula:

C9H4ClN3O2S

Molecular Weight:

253.6650

Catalog Number:

AG00FM0X

Chemical Name:

5-CHLOROPYRAZOLO[1,5-A]THIENO[2,3-E]PYRIMIDINE-3-CARBOXYLIC ACID

CAS Number:

680210-93-9

Molecular Formula:

C9H4ClN3O2S

Molecular Weight:

253.6650

MDL Number:

MFCD03844201

IUPAC Name:

7-chloro-5-thia-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-10-carboxylic acid

InChI:

InChI=1S/C9H4ClN3O2S/c10-7-6-5(1-2-16-6)13-8(12-7)4(3-11-13)9(14)15/h1-3H,(H,14,15)

InChI Key:

WZUHBIVKZBNNCX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn2c1nc(Cl)c1c2ccs1

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.66g/mol

Monoisotopic Mass:

252.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9