Home Carboxys Thietane-3-carboxylic acid

Thietane-3-carboxylic acid

CAS No.:
765-55-9
Catalog Number:
AG005KH1
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$445
- +
1g
97%
1 week
United States
$712
- +
Product Description
Catalog Number:
AG005KH1
Chemical Name:
Thietane-3-carboxylic acid
CAS Number:
765-55-9
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
MDL Number:
MFCD19229335
IUPAC Name:
thietane-3-carboxylic acid
InChI:
InChI=1S/C4H6O2S/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChI Key:
BDIPXAVHQNFRNU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC1
Properties
Complexity:
87.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.009g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.15g/mol
Monoisotopic Mass:
118.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Comparison of the reactivity of β-thiolactones and β-lactones toward ring-opening by thiols and amines. Organic & biomolecular chemistry 20120828
Properties