2-Thiouracil

CAT: 1489-T7310-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-T7310-01Size:25 g

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CAS Number

141-90-2

Purity

0.98

Chemical Information

Thiouracil

Thiouracil can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number	141-90-2
PubChem CID	1269845
IUPAC Name	2-sulfanylidene-1H-pyrimidin-4-one
Molecular Formula	C4H4N2OS
Molecular Weight	128.15
XLogP	-0.3
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	163

SMILES

C1=CNC(=S)NC1=O

InChI

InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey

ZEMGGZBWXRYJHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141-90-2

CID: 1269845

Formula: C4H4N2OS

MW: 128.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.15
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.00443393
Monoisotopic Mass	128.00443393
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	163
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

Catalog	Name
H8401-01	Methyl Thiouracil
T7140-01	2,2,2-Trichloroethyl chloroformate
T2670-01	2,2:6,2-Terpyridine
D4690-01	2,2-Dihydroxybiphenyl
D4010-01	2,2-Dibromobiphenyl
B1120-01	2,2-Biisonicotinicacid
F7650-01	2,2′-Furoin
D9240-01	2,2-Bipyridyl
P0870-01	Palladium (II) 2,2,2-Trifluoroacetate
A9270-01	2,2-Azobis (2-Methylpropionamidine) Dihydrochloride

Catalog	Name
B1872-50	2-Thiouracil