200,000+ products from a single source!
sales@angenechem.com
166192-27-4 | Methyl 3-[(3-Nitrothien-2-yl)thio]propanoate
CAS No: 166192-27-4 Catalog No: AG01FAQX MDL No:
Product Description
Catalog Number:
AG01FAQX
Chemical Name:
Methyl 3-[(3-Nitrothien-2-yl)thio]propanoate
CAS Number:
166192-27-4
Molecular Formula:
C8H9NO4S2
Molecular Weight:
247.2914
IUPAC Name:
methyl 3-(3-nitrothiophen-2-yl)sulfanylpropanoate
InChI:
InChI=1S/C8H9NO4S2/c1-13-7(10)3-5-15-8-6(9(11)12)2-4-14-8/h2,4H,3,5H2,1H3
InChI Key:
VKKAMKRVCXCYJF-UHFFFAOYSA-N
SMILES:
COC(=O)CCSc1sccc1[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.283g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
© 2019 Angene International Limited. All rights Reserved.