200,000+ products from a single source!
sales@angenechem.com
187844-77-5 | Propanoic acid, 3-[(1,1-dimethylethyl)thio]-2-hydroxy-, (2S)-
CAS No: 187844-77-5 Catalog No: AG002GJ6 MDL No:
Product Description
Catalog Number:
AG002GJ6
Chemical Name:
Propanoic acid, 3-[(1,1-dimethylethyl)thio]-2-hydroxy-, (2S)-
CAS Number:
187844-77-5
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
IUPAC Name:
(2S)-3-tert-butylsulfanyl-2-hydroxypropanoic acid
InChI:
InChI=1S/C7H14O3S/c1-7(2,3)11-4-5(8)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)/t5-/m1/s1
InChI Key:
AWJJDPSKCVBTEO-RXMQYKEDSA-N
SMILES:
O[C@@H](C(=O)O)CSC(C)(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
178.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.246g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.