2-methylthiopyridine

CAT: 0127-OR901942-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR901942-01Size:5 g

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CAS Number

18438-38-5

MDL Number

MFCD01691593

Purity

98%

Smiles

CSc1ccccn1

Chemical Information

Pyridine, 2-(methylthio)-

CAS Number	18438-38-5
PubChem CID	29076
IUPAC Name	2-methylsulfanylpyridine
Molecular Formula	C6H7NS
Molecular Weight	125.19
XLogP	1.7
Topological Polar Surface Area	38.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	65

SMILES

CSC1=CC=CC=N1

InChI

InChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3

InChIKey

VLQBSKLZRSUMTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18438-38-5

CID: 29076

Formula: C6H7NS

MW: 125.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.19
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.02992040
Monoisotopic Mass	125.02992040
Topological Polar Surface Area	38.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	65.5
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

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