200,000+ products from a single source!
sales@angenechem.com
178979-34-5 | Carbamothioic acid, methyl-, O-[[5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-1H-imidazol-2-yl]methyl] ester (9CI)
CAS No: 178979-34-5 Catalog No: AG0026JS MDL No:
Product Description
Catalog Number:
AG0026JS
Chemical Name:
Carbamothioic acid, methyl-, O-[[5-[(3,5-dichlorophenyl)thio]-1-methyl-4-(1-methylethyl)-1H-imidazol-2-yl]methyl] ester (9CI)
CAS Number:
178979-34-5
Molecular Formula:
C16H19Cl2N3OS2
Molecular Weight:
404.3776
IUPAC Name:
O-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl] N-methylcarbamothioate
InChI:
InChI=1S/C16H19Cl2N3OS2/c1-9(2)14-15(24-12-6-10(17)5-11(18)7-12)21(4)13(20-14)8-22-16(23)19-3/h5-7,9H,8H2,1-4H3,(H,19,23)
InChI Key:
XBGTXMAENOKHSS-UHFFFAOYSA-N
SMILES:
CNC(=S)OCc1nc(c(n1C)Sc1cc(Cl)cc(c1)Cl)C(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.035g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.368g/mol
Monoisotopic Mass:
403.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.