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20981-70-8 | 1,2-Dithiolane-3-carboxylic acid, (S)-(+)- (8CI)
CAS No: 20981-70-8 Catalog No: AG002KG0 MDL No:
Product Description
Catalog Number:
AG002KG0
Chemical Name:
1,2-Dithiolane-3-carboxylic acid, (S)-(+)- (8CI)
CAS Number:
20981-70-8
Molecular Formula:
C4H6O2S2
Molecular Weight:
150.2192
IUPAC Name:
(3S)-dithiolane-3-carboxylic acid
InChI:
InChI=1S/C4H6O2S2/c5-4(6)3-1-2-7-8-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1
InChI Key:
SHMXLCRUTGTGGS-VKHMYHEASA-N
SMILES:
OC(=O)[C@@H]1CCSS1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
149.981g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.21g/mol
Monoisotopic Mass:
149.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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