200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86910-86-3
86910-86-3 | 1-(5-butanoylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenyl-thiourea
CAS No: 86910-86-3 Catalog No: AG004LAC MDL No:
Product Description
Catalog Number:
AG004LAC
Chemical Name:
1-(5-butanoylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenyl-thiourea
CAS Number:
86910-86-3
Molecular Formula:
C13H14N4OS3
Molecular Weight:
338.4715
IUPAC Name:
S-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl] butanethioate
InChI:
InChI=1S/C13H14N4OS3/c1-2-6-10(18)20-13-17-16-12(21-13)15-11(19)14-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,14,15,16,19)
InChI Key:
SSCDKBYSSUMQQN-UHFFFAOYSA-N
SMILES:
CCCC(=O)Sc1nnc(s1)NC(=S)Nc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.462g/mol
Monoisotopic Mass:
338.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^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.