200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 953847-86-4
953847-86-4 | 3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanethioamide
CAS No: 953847-86-4 Catalog No: AG00JDSB MDL No:MFCD09880356
Product Description
Catalog Number:
AG00JDSB
Chemical Name:
3-(5,6-dimethyl-1H-benzimidazol-1-yl)propanethioamide
CAS Number:
953847-86-4
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
MDL Number:
MFCD09880356
IUPAC Name:
3-(5,6-dimethylbenzimidazol-1-yl)propanethioamide
InChI:
InChI=1S/C12H15N3S/c1-8-5-10-11(6-9(8)2)15(7-14-10)4-3-12(13)16/h5-7H,3-4H2,1-2H3,(H2,13,16)
InChI Key:
WSUXYRZPTWFQOK-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1C)ncn2CCC(=S)N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.