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152531-50-5 | Benzamide,N-[4-(isothiocyanatomethyl)-2-thiazolyl]-
CAS No: 152531-50-5 Catalog No: AG007YKZ MDL No:
Product Description
Catalog Number:
AG007YKZ
Chemical Name:
Benzamide,N-[4-(isothiocyanatomethyl)-2-thiazolyl]-
CAS Number:
152531-50-5
Molecular Formula:
C12H9N3OS2
Molecular Weight:
275.3494
IUPAC Name:
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide
InChI:
InChI=1S/C12H9N3OS2/c16-11(9-4-2-1-3-5-9)15-12-14-10(7-18-12)6-13-8-17/h1-5,7H,6H2,(H,14,15,16)
InChI Key:
ZWWCCCPUMWBZMQ-UHFFFAOYSA-N
SMILES:
S=C=NCc1csc(n1)NC(=O)c1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.344g/mol
Monoisotopic Mass:
275.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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