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20876-84-0 | Benzenecarbothioamide, 2,4-dimethoxy-N,N-dimethyl-
CAS No: 20876-84-0 Catalog No: AG002JW7 MDL No:
Product Description
Catalog Number:
AG002JW7
Chemical Name:
Benzenecarbothioamide, 2,4-dimethoxy-N,N-dimethyl-
CAS Number:
20876-84-0
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
2,4-dimethoxy-N,N-dimethylbenzenecarbothioamide
InChI:
InChI=1S/C11H15NO2S/c1-12(2)11(15)9-6-5-8(13-3)7-10(9)14-4/h5-7H,1-4H3
InChI Key:
IXMWPCSNQYKDRT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1C(=S)N(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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