200,000+ products from a single source!
sales@angenechem.com
156474-26-9 | 3-Thiomorpholinecarboxylic acid, 1-oxide
CAS No: 156474-26-9 Catalog No: AG001OQ8 MDL No:MFCD21129256
Product Description
Catalog Number:
AG001OQ8
Chemical Name:
3-Thiomorpholinecarboxylic acid, 1-oxide
CAS Number:
156474-26-9
Molecular Formula:
C5H9NO3S
Molecular Weight:
163.1949
MDL Number:
MFCD21129256
IUPAC Name:
1-oxo-1,4-thiazinane-3-carboxylic acid
InChI:
InChI=1S/C5H9NO3S/c7-5(8)4-3-10(9)2-1-6-4/h4,6H,1-3H2,(H,7,8)
InChI Key:
XXMSBUDHKMHMTJ-UHFFFAOYSA-N
SMILES:
O=S1CCNC(C1)C(=O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.191g/mol
Monoisotopic Mass:
163.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.