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Home > Imidazoles > 77523-94-5
77523-94-5 | 3-(1H-benzoimidazol-2-ylmethyl)-1-butyl-thiourea
CAS No: 77523-94-5 Catalog No: AG005T7Z MDL No:
Product Description
Catalog Number:
AG005T7Z
Chemical Name:
3-(1H-benzoimidazol-2-ylmethyl)-1-butyl-thiourea
CAS Number:
77523-94-5
Molecular Formula:
C13H18N4S
Molecular Weight:
262.3738
IUPAC Name:
1-(1H-benzimidazol-2-ylmethyl)-3-butylthiourea
InChI:
InChI=1S/C13H18N4S/c1-2-3-8-14-13(18)15-9-12-16-10-6-4-5-7-11(10)17-12/h4-7H,2-3,8-9H2,1H3,(H,16,17)(H2,14,15,18)
InChI Key:
VEUIQMWIWISIRA-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)NCc1nc2c([nH]1)cccc2
NSC Number:
289613
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.375g/mol
Monoisotopic Mass:
262.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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