200,000+ products from a single source!
sales@angenechem.com
17954-38-0 | 2(1H)-Isoquinolinecarbothioic acid, 1-cyano-, S-ethyl ester
CAS No: 17954-38-0 Catalog No: AG002738 MDL No:
Product Description
Catalog Number:
AG002738
Chemical Name:
2(1H)-Isoquinolinecarbothioic acid, 1-cyano-, S-ethyl ester
CAS Number:
17954-38-0
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
IUPAC Name:
S-ethyl 1-cyano-1H-isoquinoline-2-carbothioate
InChI:
InChI=1S/C13H12N2OS/c1-2-17-13(16)15-8-7-10-5-3-4-6-11(10)12(15)9-14/h3-8,12H,2H2,1H3
InChI Key:
GCDCPALIVWAHIG-UHFFFAOYSA-N
SMILES:
CCSC(=O)N1C=Cc2c(C1C#N)cccc2
NSC Number:
148791
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.