Name: Name:5-(1H-pyrazol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Brand: Angene
SKU: AG01DILN
Rating: 90 (10 reviews)

5-(1H-pyrazol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

CAS No.:

1314965-49-5

Catalog Number:

AG01DILN

Molecular Formula:

C7H6N4OS

Molecular Weight:

194.2137

Catalog Number:

AG01DILN

Chemical Name:

5-(1H-pyrazol-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

CAS Number:

1314965-49-5

Molecular Formula:

C7H6N4OS

Molecular Weight:

194.2137

MDL Number:

MFCD11109921

IUPAC Name:

5-pyrazol-1-yl-2-sulfanylidene-1H-pyrimidin-4-one

InChI:

InChI=1S/C7H6N4OS/c12-6-5(4-8-7(13)10-6)11-3-1-2-9-11/h1-4H,(H2,8,10,12,13)

InChI Key:

BCRAQPIEFGNZKX-UHFFFAOYSA-N

SMILES:

O=c1[nH]c(=S)[nH]cc1n1cccn1

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.212g/mol

Monoisotopic Mass:

194.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2