Home Carboxys 5-methylthiolane-2-carboxylic acid

5-methylthiolane-2-carboxylic acid

CAS No.:
1206675-27-5
Catalog Number:
AG01A3HA
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
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Product Description
Catalog Number:
AG01A3HA
Chemical Name:
5-methylthiolane-2-carboxylic acid
CAS Number:
1206675-27-5
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
MDL Number:
MFCD30091086
IUPAC Name:
5-methylthiolane-2-carboxylic acid
InChI:
InChI=1S/C6H10O2S/c1-4-2-3-5(9-4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChI Key:
LGZJNCHQIKMJRA-UHFFFAOYSA-N
SMILES:
CC1CCC(S1)C(=O)O
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties