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145736-65-8 | Benzeneethanethioamide, 3,4-dimethoxy-
CAS No: 145736-65-8 Catalog No: AG001DD7 MDL No:MFCD04973333
Product Description
Catalog Number:
AG001DD7
Chemical Name:
Benzeneethanethioamide, 3,4-dimethoxy-
CAS Number:
145736-65-8
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD04973333
IUPAC Name:
2-(3,4-dimethoxyphenyl)ethanethioamide
InChI:
InChI=1S/C10H13NO2S/c1-12-8-4-3-7(6-10(11)14)5-9(8)13-2/h3-5H,6H2,1-2H3,(H2,11,14)
InChI Key:
NUJVMJMQHGZBDK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC(=S)N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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