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87956-82-9 | Ethanethioamide, N-[4-(methylthio)phenyl]-
CAS No: 87956-82-9 Catalog No: AG004D4G MDL No:
Product Description
Catalog Number:
AG004D4G
Chemical Name:
Ethanethioamide, N-[4-(methylthio)phenyl]-
CAS Number:
87956-82-9
Molecular Formula:
C9H11NS2
Molecular Weight:
197.3203
IUPAC Name:
N-(4-methylsulfanylphenyl)ethanethioamide
InChI:
InChI=1S/C9H11NS2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChI Key:
VDUDLSOHHIKIGV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)NC(=S)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.314g/mol
Monoisotopic Mass:
197.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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