Thiobarbituric acid

CAT: 0931-T20550-04Size: 500 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T20550-04Size:500 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

504-17-6

Target

Antibacterial

Related Pathways

Microbiology/Virology

Purity

0.9989

Bioactivity

Thiobarbituric acid (NSC-4733) has Antibacterial Activity.

Smiles

O=C1CC(=O)NC(=S)N1

Molecular Formula

C4H4N2O2S

Molecular Weight

144.15

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Thiobarbituric acid

2-thiobarbituric acid is a barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. It has a role as a reagent and an allergen.

CAS Number	504-17-6
PubChem CID	2723628
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular Formula	C4H4N2O2S
Molecular Weight	144.15
XLogP	-0.9
Topological Polar Surface Area	90.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	171

SMILES

C1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey

RVBUGGBMJDPOST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 504-17-6

CID: 2723628

Formula: C4H4N2O2S

MW: 144.15

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	144.15
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	143.99934855
Monoisotopic Mass	143.99934855
Topological Polar Surface Area	90.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T29605-01	Acid Red 186 free acid
T14100-01	Acid-PEG2-SS-PEG2-acid
T17355-01	Acid-PEG4-S-PEG4-acid
T14104-01	Acid-PEG3-SS-PEG3-acid
T14107-01	Acid-PEG4-S-S-PEG4-acid
T40992-01	Acid-PEG8-S-S-PEG8-acid
TN7348-01	(±) -Cannabichromenic Acid
T21367-01	Tetrahydrofolic acid
TN2112-01	Przewalskinic acid A
T125194-01	Kolavenic acid

Alternative Products

Catalog	Name
MBS5764774	Thiobarbituric acid
HY-77962-01	2-Thiobarbituric acid
267700025	Thiobarbituric Acid 99% AR
G8680-01	TBA (2-Thiobarbituric Acid)
MBS3616950-01	5-Furfurylidene-2-Thiobarbituric Acid
166360	S-Propyl-2-thiobarbituric Acid

Thiobarbituric acid

Chemical Information

Related Products

Alternative Products

Popular Products