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879362-37-5 | N-(2-Ethylphenyl)-n-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS No: 879362-37-5 Catalog No: AG00IETV MDL No:MFCD06655191
Product Description
Catalog Number:
AG00IETV
Chemical Name:
N-(2-Ethylphenyl)-n-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
879362-37-5
Molecular Formula:
C15H15N3OS2
Molecular Weight:
317.4291
MDL Number:
MFCD06655191
IUPAC Name:
N-(2-ethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C15H15N3OS2/c1-3-12-6-4-5-7-14(12)18(11(2)19)15-17-13(9-21-15)8-16-10-20/h4-7,9H,3,8H2,1-2H3
InChI Key:
CGBJJLHAVPJANM-UHFFFAOYSA-N
SMILES:
S=C=NCc1csc(n1)N(c1ccccc1CC)C(=O)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.425g/mol
Monoisotopic Mass:
317.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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