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138320-34-0 | Propanoic acid, 2-[(2-thienylcarbonyl)thio]-, (S)- (9CI)
CAS No: 138320-34-0 Catalog No: AG0018IY MDL No:
Product Description
Catalog Number:
AG0018IY
Chemical Name:
Propanoic acid, 2-[(2-thienylcarbonyl)thio]-, (S)- (9CI)
CAS Number:
138320-34-0
Molecular Formula:
C8H8O3S2
Molecular Weight:
216.2773
IUPAC Name:
(2S)-2-(thiophene-2-carbonylsulfanyl)propanoic acid
InChI:
InChI=1S/C8H8O3S2/c1-5(7(9)10)13-8(11)6-3-2-4-12-6/h2-5H,1H3,(H,9,10)/t5-/m0/s1
InChI Key:
KXHUVWDIKYRVPQ-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](SC(=O)c1cccs1)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.269g/mol
Monoisotopic Mass:
215.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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