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13153-01-0 | Benzoic acid, 2-[(phenylamino)thioxomethyl]hydrazide
CAS No: 13153-01-0 Catalog No: AG000ZBX MDL No:MFCD00030080
Product Description
Catalog Number:
AG000ZBX
Chemical Name:
Benzoic acid, 2-[(phenylamino)thioxomethyl]hydrazide
CAS Number:
13153-01-0
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
MDL Number:
MFCD00030080
IUPAC Name:
1-benzamido-3-phenylthiourea
InChI:
InChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)
InChI Key:
YFIKTVJZVZMIMY-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1)NNC(=O)c1ccccc1
NSC Number:
507159
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| N-(Acetamido)thiourea based simple neutral hydrogen-bonding receptors for anions. | Organic & biomolecular chemistry 20091007 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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