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860785-11-1 | 1-(1,3-benzoxazol-6-yl)-3-ethylthiourea
CAS No: 860785-11-1 Catalog No: AG00IWO0 MDL No:MFCD03617886
Product Description
Catalog Number:
AG00IWO0
Chemical Name:
1-(1,3-benzoxazol-6-yl)-3-ethylthiourea
CAS Number:
860785-11-1
Molecular Formula:
C10H11N3OS
Molecular Weight:
221.2788
MDL Number:
MFCD03617886
IUPAC Name:
1-(1,3-benzoxazol-6-yl)-3-ethylthiourea
InChI:
InChI=1S/C10H11N3OS/c1-2-11-10(15)13-7-3-4-8-9(5-7)14-6-12-8/h3-6H,2H2,1H3,(H2,11,13,15)
InChI Key:
RNLAGFDBVAGZNB-UHFFFAOYSA-N
SMILES:
CCNC(=S)Nc1ccc2c(c1)ocn2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.278g/mol
Monoisotopic Mass:
221.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 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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