Home Carboxys 4-((((2-carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid

4-((((2-carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid

CAS No.:
2055041-03-5
Catalog Number:
AG01E6KR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E6KR
Chemical Name:
4-((((2-carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid
CAS Number:
2055041-03-5
MDL Number:
MFCD28385788
IUPAC Name:
4-(2-carboxyethylsulfanylcarbothioylsulfanyl)-4-cyanopentanoic acid
InChI:
InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
CTLAWKZAJCYIFX-UHFFFAOYSA-N
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.001g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.397g/mol
Monoisotopic Mass:
307.001g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties