200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 845879-17-6
845879-17-6 | 2-({[(1Z)-(cyanoimino)(methylsulfanyl)methyl]sulfanyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 845879-17-6 Catalog No: AG00PETN MDL No:
Product Description
Catalog Number:
AG00PETN
Chemical Name:
2-({[(1Z)-(cyanoimino)(methylsulfanyl)methyl]sulfanyl}methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
845879-17-6
Molecular Formula:
C12H9N3O2S2
Molecular Weight:
291.3488
IUPAC Name:
[(1,3-dioxoisoindol-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C12H9N3O2S2/c1-18-12(14-6-13)19-7-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-5H,7H2,1H3
InChI Key:
QOZOWFDJBFNNEL-UHFFFAOYSA-N
SMILES:
CS/C(=N/C#N)/SCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.343g/mol
Monoisotopic Mass:
291.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.