Name: Name:2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide
Brand: Angene
SKU: AG01A3S5
Rating: 90 (10 reviews)

2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide

CAS No.:

1016861-56-5

Catalog Number:

AG01A3S5

Molecular Formula:

C10H12N4OS

Molecular Weight:

236.2935

Catalog Number:

AG01A3S5

Chemical Name:

2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide

CAS Number:

1016861-56-5

Molecular Formula:

C10H12N4OS

Molecular Weight:

236.2935

MDL Number:

MFCD09936950

IUPAC Name:

2-(3-oxopiperazin-1-yl)pyridine-3-carbothioamide

InChI:

InChI=1S/C10H12N4OS/c11-9(16)7-2-1-3-13-10(7)14-5-4-12-8(15)6-14/h1-3H,4-6H2,(H2,11,16)(H,12,15)

InChI Key:

FTPOIHHEPBTQIX-UHFFFAOYSA-N

SMILES:

O=C1NCCN(C1)c1ncccc1C(=S)N

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.293g/mol

Monoisotopic Mass:

236.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1