200,000+ products from a single source!
sales@angenechem.com
89570-12-7 | 1,2,4-Dithiazolidin-3-one, 4-(2-thienylmethyl)-5-thioxo-
CAS No: 89570-12-7 Catalog No: AG003XXT MDL No:
Product Description
Catalog Number:
AG003XXT
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(2-thienylmethyl)-5-thioxo-
CAS Number:
89570-12-7
Molecular Formula:
C7H5NOS4
Molecular Weight:
247.3807
IUPAC Name:
5-sulfanylidene-4-(thiophen-2-ylmethyl)-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C7H5NOS4/c9-6-8(7(10)13-12-6)4-5-2-1-3-11-5/h1-3H,4H2
InChI Key:
CTLGQQDLVZIDGR-UHFFFAOYSA-N
SMILES:
O=c1ssc(=S)n1Cc1cccs1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.925g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.363g/mol
Monoisotopic Mass:
246.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.