200,000+ products from a single source!
sales@angenechem.com
338418-70-5 | 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-1,2-thiazole-4-carbonitrile
CAS No: 338418-70-5 Catalog No: AG00IY4Y MDL No:MFCD00214754
Product Description
Catalog Number:
AG00IY4Y
Chemical Name:
5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-1,2-thiazole-4-carbonitrile
CAS Number:
338418-70-5
Molecular Formula:
C15H13N5OS2
Molecular Weight:
343.4266
MDL Number:
MFCD00214754
IUPAC Name:
5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C15H13N5OS2/c1-10-12(7-16)15(20-23-10)22-9-14-17-13(18-19-14)8-21-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3,(H,17,18,19)
InChI Key:
SXEIQVIXVOMZLO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCc2n[nH]c(n2)COc2ccccc2)nsc1C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.056g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.