4-Hydroxy-2-mercaptopteridine

CAT: 0926-NH67971-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NH67971-02Size:250 mg

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CAS Number

52023-48-0

MDL Number

MFCD00023899

Smiles

C1=CN=C2C (=N1) C (=O) NC (=S) N2

Molecular Formula

C6H4N4OS

Molecular Weight

180.19 g/mol

Controlled

Chemical Information

2-Mercaptopteridin-4-ol

CAS Number	52023-48-0
PubChem CID	919948
IUPAC Name	2-sulfanylidene-1H-pteridin-4-one
Molecular Formula	C6H4N4OS
Molecular Weight	180.19
XLogP	-0.4
Topological Polar Surface Area	99
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	232

SMILES

C1=CN=C2C(=N1)C(=O)NC(=S)N2

InChI

InChI=1S/C6H4N4OS/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)

InChIKey

VSPCYUNOZPCHLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52023-48-0

CID: 919948

Formula: C6H4N4OS

MW: 180.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.19
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	180.01058194
Monoisotopic Mass	180.01058194
Topological Polar Surface Area	99 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232
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
DNB42766-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
FH66636-01	2'-Hydroxy-2,4,4'-trimethoxychalcone
FH66466-01	2'-Hydroxy-4'-methoxychalcone
FH70360-01	2-Hydroxy-4-nitrobenzonitrile
FH69938-01	2'-Hydroxy-4'-methoxypropiophenone
FH67745-01	4'-Hydroxy-2'-methoxyacetophenone
FH52889-01	2-Hydroxy-4-morpholinobenzaldehyde
UCA44364	2-Hydroxy-4-methylbenzohydrazide
FH66244-01	2'-Hydroxy-4-methoxychalcone
FH70218-01	2-Hydroxy-4-methylbenzaldehyde

Catalog	Name
MBS5761368	2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
HY-N9012-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
384952	4-Hydroxy-2-Hexenal (4-Hydroxy-2-Hexenal (4-HHE), 4-Hydroxy-2-Hexenal, 4-HHE, MG, MG-Modified Protein, 4-Hydroxy-2-Hexenal-Modified, 4-Hydroxy-2-Hexenal, 4-Hydroxy Hexenal, HHE, 4-HHE)
sc-491235	2'-Hydroxy-2,4,4-trimethylflavan
379233	4'-Hydroxy-2,4-dimethoxychalcone
sc-252231	4'-Hydroxy-2,4-dimethoxybenzophenone
M31967-01	4-Hydroxy-2,4-dimethoxychalcone
418202-01	2-Hydroxy-2- (3-hydroxy-4-methoxyphenyl) acetonitrile
PC107072	2-Hydroxy-4,4,4-trifluorobutyronitrile
HY-W051287-01	4-Hydroxy-2-butanone