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20600-61-7 | Acetic acid, 2-(butylthio)-
CAS No: 20600-61-7 Catalog No: AG002AGL MDL No:MFCD06208056
Product Description
Catalog Number:
AG002AGL
Chemical Name:
Acetic acid, 2-(butylthio)-
CAS Number:
20600-61-7
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD06208056
IUPAC Name:
2-butylsulfanylacetic acid
InChI:
InChI=1S/C6H12O2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key:
ILLCGAJCYFLVSV-UHFFFAOYSA-N
SMILES:
CCCCSCC(=O)O
EC Number:
243-907-9
NSC Number:
75120
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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