6-Formyl-2-thiouracil

CAT: 0024-sc-284766ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-284766ASize:5 g

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CAS Number

16953-46-1

Chemical Information

6-Formyl-2-thiouracil

CAS Number	16953-46-1
PubChem CID	2736497
IUPAC Name	4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
Molecular Formula	C5H4N2O2S
Molecular Weight	156.16
XLogP	-0.7
Topological Polar Surface Area	90.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	234

SMILES

C1=C(NC(=S)NC1=O)C=O

InChI

InChI=1S/C5H4N2O2S/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)

InChIKey

SUXFYENAWRZLPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16953-46-1

CID: 2736497

Formula: C5H4N2O2S

MW: 156.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.16
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	155.99934855
Monoisotopic Mass	155.99934855
Topological Polar Surface Area	90.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	234
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