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861210-67-5 | 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(prop-2-en-1-yl)thiourea
CAS No: 861210-67-5 Catalog No: AG00IP7E MDL No:MFCD03618038
Product Description
Catalog Number:
AG00IP7E
Chemical Name:
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(prop-2-en-1-yl)thiourea
CAS Number:
861210-67-5
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
MDL Number:
MFCD03618038
IUPAC Name:
1-(2-methyl-1,3-benzoxazol-6-yl)-3-prop-2-enylthiourea
InChI:
InChI=1S/C12H13N3OS/c1-3-6-13-12(17)15-9-4-5-10-11(7-9)16-8(2)14-10/h3-5,7H,1,6H2,2H3,(H2,13,15,17)
InChI Key:
WAMSLOVFRZZAKX-UHFFFAOYSA-N
SMILES:
C=CCNC(=S)Nc1ccc2c(c1)oc(n2)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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