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7340-70-7 | N-(2,3-DIHYDRO-2-THIOXO-6-BENZOTHIAZOLYL)-ACETAMIDE
CAS No: 7340-70-7 Catalog No: AG005O7B MDL No:
Product Description
Catalog Number:
AG005O7B
Chemical Name:
N-(2,3-DIHYDRO-2-THIOXO-6-BENZOTHIAZOLYL)-ACETAMIDE
CAS Number:
7340-70-7
Molecular Formula:
C9H8N2OS2
Molecular Weight:
224.3026
IUPAC Name:
N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)acetamide
InChI:
InChI=1S/C9H8N2OS2/c1-5(12)10-6-2-3-7-8(4-6)14-9(13)11-7/h2-4H,1H3,(H,10,12)(H,11,13)
InChI Key:
IIVNZXCXHJAXHD-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc2c(c1)sc(=S)[nH]2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.296g/mol
Monoisotopic Mass:
224.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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