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59729-24-7

59729-24-7 | 3-Mercapto-3-methylbutanoic acid

CAS No: 59729-24-7 Catalog No: AG0038LU MDL No:MFCD00220445

Product Description

Catalog Number:
AG0038LU
Chemical Name:
3-Mercapto-3-methylbutanoic acid
CAS Number:
59729-24-7
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD00220445
IUPAC Name:
3-methyl-3-sulfanylbutanoic acid
InChI:
InChI=1S/C5H10O2S/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChI Key:
ZBQGMMDOBGOEHH-UHFFFAOYSA-N
SMILES:
OC(=O)CC(S)(C)C

Properties

Complexity:
98.6  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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