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13702-10-8 | Ethanethioic acid, S-2-propyn-1-yl ester
CAS No: 13702-10-8 Catalog No: AG0012QK MDL No:
Product Description
Catalog Number:
AG0012QK
Chemical Name:
Ethanethioic acid, S-2-propyn-1-yl ester
CAS Number:
13702-10-8
Molecular Formula:
C5H6OS
Molecular Weight:
114.1655
IUPAC Name:
S-prop-2-ynyl ethanethioate
InChI:
InChI=1S/C5H6OS/c1-3-4-7-5(2)6/h1H,4H2,2H3
InChI Key:
UYZVABQVIWVBOC-UHFFFAOYSA-N
SMILES:
CC(=O)SCC#C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.014g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.162g/mol
Monoisotopic Mass:
114.014g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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