Home Other Building Blocks 4-([(BUTYLCARBAMOYL)METHYL]SULFANYL)PYRIDINE-2-CARBOXYLIC ACID

4-([(BUTYLCARBAMOYL)METHYL]SULFANYL)PYRIDINE-2-CARBOXYLIC ACID

CAS No.:
1505846-08-1
Catalog Number:
AG01EKIH
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
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Product Description
Catalog Number:
AG01EKIH
Chemical Name:
4-([(BUTYLCARBAMOYL)METHYL]SULFANYL)PYRIDINE-2-CARBOXYLIC ACID
CAS Number:
1505846-08-1
Molecular Formula:
C12H16N2O3S
Molecular Weight:
268.3320
MDL Number:
MFCD23318795
IUPAC Name:
4-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
InChI:
InChI=1S/C12H16N2O3S/c1-2-3-5-14-11(15)8-18-9-4-6-13-10(7-9)12(16)17/h4,6-7H,2-3,5,8H2,1H3,(H,14,15)(H,16,17)
InChI Key:
JJMXVXGSOGWECK-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CSc1ccnc(c1)C(=O)O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.088g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.331g/mol
Monoisotopic Mass:
268.088g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties