200,000+ products from a single source!
sales@angenechem.com
86961-10-6 | Propanoic acid, 3-mercapto-2-methyl-, methyl ester, (S)-
CAS No: 86961-10-6 Catalog No: AG004L47 MDL No:
Product Description
Catalog Number:
AG004L47
Chemical Name:
Propanoic acid, 3-mercapto-2-methyl-, methyl ester, (S)-
CAS Number:
86961-10-6
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
IUPAC Name:
methyl (2S)-2-methyl-3-sulfanylpropanoate
InChI:
InChI=1S/C5H10O2S/c1-4(3-8)5(6)7-2/h4,8H,3H2,1-2H3/t4-/m1/s1
InChI Key:
PXSVQMKXJZTWPN-SCSAIBSYSA-N
SMILES:
C[C@@H](C(=O)OC)CS
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.