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145736-64-7 | Benzenecarbothioamide, 2,3-dimethoxy-
CAS No: 145736-64-7 Catalog No: AG001DD8 MDL No:MFCD04973327
Product Description
Catalog Number:
AG001DD8
Chemical Name:
Benzenecarbothioamide, 2,3-dimethoxy-
CAS Number:
145736-64-7
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD04973327
IUPAC Name:
2,3-dimethoxybenzenecarbothioamide
InChI:
InChI=1S/C9H11NO2S/c1-11-7-5-3-4-6(9(10)13)8(7)12-2/h3-5H,1-2H3,(H2,10,13)
InChI Key:
QQBGVGAHINKAFG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC)C(=S)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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