Home Other Building Blocks 2-(prop-2-yn-1-ylsulfanyl)acetic acid

2-(prop-2-yn-1-ylsulfanyl)acetic acid

CAS No.:
13702-08-4
Catalog Number:
AG019Q1Q
Molecular Formula:
C5H6O2S
Molecular Weight:
130.1649
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Product Description
Catalog Number:
AG019Q1Q
Chemical Name:
2-(prop-2-yn-1-ylsulfanyl)acetic acid
CAS Number:
13702-08-4
Molecular Formula:
C5H6O2S
Molecular Weight:
130.1649
MDL Number:
MFCD08445003
IUPAC Name:
2-prop-2-ynylsulfanylacetic acid
InChI:
InChI=1S/C5H6O2S/c1-2-3-8-4-5(6)7/h1H,3-4H2,(H,6,7)
InChI Key:
WXNYAIXZMBIHNB-UHFFFAOYSA-N
SMILES:
C#CCSCC(=O)O
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.009g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.161g/mol
Monoisotopic Mass:
130.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties