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757221-09-3 | N-ethyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS No: 757221-09-3 Catalog No: AG019JRX MDL No:MFCD06342778
Product Description
Catalog Number:
AG019JRX
Chemical Name:
N-ethyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
757221-09-3
Molecular Formula:
C9H11N3OS2
Molecular Weight:
241.3331
MDL Number:
MFCD06342778
IUPAC Name:
N-ethyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C9H11N3OS2/c1-3-12(7(2)13)9-11-8(5-15-9)4-10-6-14/h5H,3-4H2,1-2H3
InChI Key:
HEUJMDFETFTSJN-UHFFFAOYSA-N
SMILES:
S=C=NCc1csc(n1)N(C(=O)C)CC
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.327g/mol
Monoisotopic Mass:
241.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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