Home Other Building Blocks Ethanethioic acid, S-(3-hydroxypropyl) ester

Ethanethioic acid, S-(3-hydroxypropyl) ester

CAS No.:
115051-66-6
Catalog Number:
AG01DTNM
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
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Product Description
Catalog Number:
AG01DTNM
Chemical Name:
Ethanethioic acid, S-(3-hydroxypropyl) ester
CAS Number:
115051-66-6
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD30084688
IUPAC Name:
S-(3-hydroxypropyl) ethanethioate
InChI:
InChI=1S/C5H10O2S/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3
InChI Key:
ADIJNQVLNHDJIF-UHFFFAOYSA-N
SMILES:
CC(=O)SCCCO
Properties
Complexity:
72.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties