Home Carboxys Tetrahydro-3-thiophenecarboxylic acid

Tetrahydro-3-thiophenecarboxylic acid

CAS No.:
18133-20-5
Catalog Number:
AG00B6B3
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
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Product Description
Catalog Number:
AG00B6B3
Chemical Name:
Tetrahydro-3-thiophenecarboxylic acid
CAS Number:
18133-20-5
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
MDL Number:
MFCD11847784
IUPAC Name:
thiolane-3-carboxylic acid
InChI:
InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)
InChI Key:
BSNQHVPRAPQLSW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSCC1
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.177g/mol
Monoisotopic Mass:
132.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties