Home Carboxys 3-([(Methylthio)carbonyl]amino)adamantane-1-carboxylic acid

3-([(Methylthio)carbonyl]amino)adamantane-1-carboxylic acid

CAS No.:
342046-29-1
Catalog Number:
AG00C5YM
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00C5YM
Chemical Name:
3-([(Methylthio)carbonyl]amino)adamantane-1-carboxylic acid
CAS Number:
342046-29-1
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
MDL Number:
MFCD01830815
IUPAC Name:
3-(methylsulfanylcarbonylamino)adamantane-1-carboxylic acid
InChI:
InChI=1S/C13H19NO3S/c1-18-11(17)14-13-5-8-2-9(6-13)4-12(3-8,7-13)10(15)16/h8-9H,2-7H2,1H3,(H,14,17)(H,15,16)
InChI Key:
CFJDXKRKCMCKOD-UHFFFAOYSA-N
SMILES:
CSC(=O)NC12CC3CC(C1)CC(C2)(C3)C(=O)O
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties