3- (Methylthio) -5-nitropyridine

CAT: 0127-OR86751-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR86751-01Size:100 mg

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CAS Number

1881296-22-5

MDL Number

MFCD29043369

Purity

97%

Smiles

O=[N+](C1=CN=CC(SC)=C1)[O-]

Chemical Information

3-(Methylthio)-5-nitropyridine

CAS Number	1881296-22-5
PubChem CID	118988932
IUPAC Name	3-methylsulfanyl-5-nitropyridine
Molecular Formula	C6H6N2O2S
Molecular Weight	170.19
XLogP	1.2
Topological Polar Surface Area	84
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	148

SMILES

CSC1=CN=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2S/c1-11-6-2-5(8(9)10)3-7-4-6/h2-4H,1H3

InChIKey

JQXVFOZKSKMGRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1881296-22-5

CID: 118988932

Formula: C6H6N2O2S

MW: 170.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.19
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	170.01499861
Monoisotopic Mass	170.01499861
Topological Polar Surface Area	84 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
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
OR1103215-01	2- (Methylthio) -5-nitropyridine
OR912998	3-Chloro-5-nitropyridine
OR345456-01	3-Amino-5-nitropyridine
OR54374	3- (Hydroxymethyl) -5-nitropyridine
PC905559-01	3-Fluoro-5-nitropyridine
OR345287-01	3-Hydroxy-5-nitropyridine
OR345270-01	3-Bromo-5-nitropyridine
OR3238	3-Methyl-5-nitropyridine
OR1033688-01	2- (Methylthio) -5-nitropyrimidine
OR1090321-01	3- (Methylthio) -5-propoxybenzaldehyde

Catalog	Name
HY-168014-01	5-Methylthio DMT
FAA10211-01	5-Methylthio-dimethyltryptamine
TRC-D242600-25MG	5'-Deoxy-5'-(methylthio)adenosine
RM-A555912-01	5'-Deoxy-5'- (Methylthio) Adenosine
437327-01	5’-Deoxy-5’- (methylthio) adenosine
TRC-D232740-100MG	5’-Deoxy-5’-(methylthio)adenosine
FM36907	5- (Methylthio) -1H-tetrazole
sc-288251	2-Methylthio-5-nitrobenzonitrile
GTR19224174-01	2-Pyridineacetamide, 5-methylthio-
HY-W654139	5'-Deoxy-5'- (methylthio) adenosine-d3