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26131-71-5 | N-[(Butylcarbamothioyl)amino]benzamide
CAS No: 26131-71-5 Catalog No: AG01FCTR MDL No:
Product Description
Catalog Number:
AG01FCTR
Chemical Name:
N-[(Butylcarbamothioyl)amino]benzamide
CAS Number:
26131-71-5
Molecular Formula:
C12H17N3OS
Molecular Weight:
251.3479
IUPAC Name:
1-benzamido-3-butylthiourea
InChI:
InChI=1S/C12H17N3OS/c1-2-3-9-13-12(17)15-14-11(16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)(H2,13,15,17)
InChI Key:
AOUKJASADDCREL-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)NNC(=O)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.348g/mol
Monoisotopic Mass:
251.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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