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87956-83-0 | Ethanethioamide, N-(3-methoxyphenyl)-
CAS No: 87956-83-0 Catalog No: AG004G9R MDL No:
Product Description
Catalog Number:
AG004G9R
Chemical Name:
Ethanethioamide, N-(3-methoxyphenyl)-
CAS Number:
87956-83-0
Molecular Formula:
C9H11NOS
Molecular Weight:
181.2547
IUPAC Name:
N-(3-methoxyphenyl)ethanethioamide
InChI:
InChI=1S/C9H11NOS/c1-7(12)10-8-4-3-5-9(6-8)11-2/h3-6H,1-2H3,(H,10,12)
InChI Key:
UMROHKYQRNMQOP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=S)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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