Home Other Building Blocks 2-{[(diethylcarbamoyl)methyl]sulfanyl}acetic acid

2-{[(diethylcarbamoyl)methyl]sulfanyl}acetic acid

CAS No.:
790232-27-8
Catalog Number:
AG019JGS
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
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Product Description
Catalog Number:
AG019JGS
Chemical Name:
2-{[(diethylcarbamoyl)methyl]sulfanyl}acetic acid
CAS Number:
790232-27-8
Molecular Formula:
C8H15NO3S
Molecular Weight:
205.2746
MDL Number:
MFCD06356480
IUPAC Name:
2-[2-(diethylamino)-2-oxoethyl]sulfanylacetic acid
InChI:
InChI=1S/C8H15NO3S/c1-3-9(4-2)7(10)5-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChI Key:
UKRHCWRIDHGXGJ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CSCC(=O)O)CC
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.272g/mol
Monoisotopic Mass:
205.077g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties