Home Other Building Blocks 2-(1,1-dioxo-1lambda6-thiolan-2-yl)acetic acid

2-(1,1-dioxo-1lambda6-thiolan-2-yl)acetic acid

CAS No.:
1781610-08-9
Catalog Number:
AG01AFQ8
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
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Product Description
Catalog Number:
AG01AFQ8
Chemical Name:
2-(1,1-dioxo-1lambda6-thiolan-2-yl)acetic acid
CAS Number:
1781610-08-9
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD30002757
IUPAC Name:
2-(1,1-dioxothiolan-2-yl)acetic acid
InChI:
InChI=1S/C6H10O4S/c7-6(8)4-5-2-1-3-11(5,9)10/h5H,1-4H2,(H,7,8)
InChI Key:
QAAMMQJXNSQLHE-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCS1(=O)=O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties