Home Carboxys 2-[(cyclohexylmethyl)sulfanyl]pyridine-3-carboxylic acid

2-[(cyclohexylmethyl)sulfanyl]pyridine-3-carboxylic acid

CAS No.:
1019437-73-0
Catalog Number:
AG01AIMB
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
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Product Description
Catalog Number:
AG01AIMB
Chemical Name:
2-[(cyclohexylmethyl)sulfanyl]pyridine-3-carboxylic acid
CAS Number:
1019437-73-0
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
MDL Number:
MFCD11127471
IUPAC Name:
2-(cyclohexylmethylsulfanyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H17NO2S/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,16)
InChI Key:
RYJPISLVWPQEBW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1SCC1CCCCC1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties