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2307-10-0 | Ethanethioic acid, S-propyl ester
CAS No: 2307-10-0 Catalog No: AG002M4T MDL No:MFCD00039937
Product Description
Catalog Number:
AG002M4T
Chemical Name:
Ethanethioic acid, S-propyl ester
CAS Number:
2307-10-0
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
MDL Number:
MFCD00039937
IUPAC Name:
S-propyl ethanethioate
InChI:
InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChI Key:
SBWFWBJCYMBZEY-UHFFFAOYSA-N
SMILES:
CCCSC(=O)C
EC Number:
218-984-7
UNII:
Y7284NZ6EP
FEMA Number:
3385
Properties
Complexity:
61.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.045g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.194g/mol
Monoisotopic Mass:
118.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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