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3-(Phenylsulfanyl)pyridine

CAT: 0572-TRC-B481573-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B481573-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28856-77-1
Hazard Statement
No Data Available
Smiles
S(c1ccccc1)c2cccnc2
Molecular Formula
C11 H9 N S
Molecular Weight
187.261
InChI
InChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
Additionnal Information
IUPAC name: 3-phenylsulfanylpyridine
Shipping Conditions
Room Temperature

Chemical Information

3-(Phenylsulfanyl)pyridine
CAS Number28856-77-1
PubChem CID3813610
IUPAC Name3-phenylsulfanylpyridine
Molecular FormulaC11H9NS
Molecular Weight187.26
XLogP3.1
Topological Polar Surface Area38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity143
SMILES
C1=CC=C(C=C1)SC2=CN=CC=C2
InChI
InChI=1S/C11H9NS/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-9H
InChIKey
ONBQLBVFTYYJJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Phenylsulfanyl)pyridine
CAS: 28856-77-1
CID: 3813610
Formula: C11H9NS
MW: 187.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.26
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass187.04557046
Monoisotopic Mass187.04557046
Topological Polar Surface Area38.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
DBA85677-013- (Phenylsulfanyl) pyridine
UCA96647-013-[ (Phenylsulfanyl) methyl]pyridine
IBA39948-014- (Phenylsulfanyl) pyridine
UAA52027-015-Bromo-2- (phenylsulfanyl) pyridine
PC4010432-Cyano-3-phenylsulfanyl-5- (trifluoromethyl) pyridine
PC1042083-Phenylsulfanyl-5-trifluoromethyl-pyridine-2-carboxylic acid
RDA71865-016-Methyl-2- (phenylsulfanyl) pyridine-3-carboxylic acid
OR1079487-012- (phenylsulfanyl) -4,6-bis (trifluoromethyl) pyridine-3-carbonitrile
PC1042013- (4-Fluoro-phenylsulfanyl) -5-trifluoromethyl-pyridine-2-carbonitrile
PC1042063- (4-Bromo-phenylsulfanyl) -5-trifluoromethyl-pyridine-2-carboxylic acid

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