200,000+ products from a single source!
sales@angenechem.com
88518-72-3 | 4-Isothiazolecarbonitrile, 2,5-dihydro-3-[(2-oxopropyl)thio]-5-thioxo-
CAS No: 88518-72-3 Catalog No: AG0048TQ MDL No:
Product Description
Catalog Number:
AG0048TQ
Chemical Name:
4-Isothiazolecarbonitrile, 2,5-dihydro-3-[(2-oxopropyl)thio]-5-thioxo-
CAS Number:
88518-72-3
Molecular Formula:
C7H6N2OS3
Molecular Weight:
230.3303
IUPAC Name:
3-(2-oxopropylsulfanyl)-5-sulfanylidene-2H-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C7H6N2OS3/c1-4(10)3-12-6-5(2-8)7(11)13-9-6/h9H,3H2,1H3
InChI Key:
WIQWHEUPSHDGTK-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1c(C#N)c(=S)s[nH]1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.318g/mol
Monoisotopic Mass:
229.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.