2,4-Dithiouracil

CAT: 0127-OR59841-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR59841-03Size:5 g

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CAS Number

2001-93-6

Synonyms

Pyrimidine-2,4 (1H,3H) -dithione, 2,4-Dithioxo-1,2,3,4-tetrahydropyrimidine

MDL Number

MFCD00006042

Purity

98%

Smiles

S=C1NC=CC (=S) N1

Storage Conditions

Store at 2-8°C

Chemical Information

2,4-Dithiouracil

inhibitor of aspergillin biosynthesis

CAS Number	2001-93-6
PubChem CID	1712448
IUPAC Name	1H-pyrimidine-2,4-dithione
Molecular Formula	C4H4N2S2
Molecular Weight	144.2
XLogP	0.3
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	161

SMILES

C1=CNC(=S)NC1=S

InChI

InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey

ZEQIWKHCJWRNTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2001-93-6

CID: 1712448

Formula: C4H4N2S2

MW: 144.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.2
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	143.98159048
Monoisotopic Mass	143.98159048
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	161
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
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
PC56226	2- (2,2,3,4,4,4-Hexafluorobutoxy) ethanol
OR84284-01	4,4',4''-Trimethyl-2,2':6',2''-terpyridine

Catalog	Name
sc-257384A	Dithiouracil
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
T3001	2,2’,4,4’-Tetranitrodiphenylmethane
sc-265948	2,2,4,4-Tetramethylpentane
FT66823-01	2,2',4,4'-Tetramethylbenzophenone