Home Other Building Blocks 4-(2-methoxyethoxy)benzene-1-carbothioamide

4-(2-methoxyethoxy)benzene-1-carbothioamide

CAS No.:
1016788-46-7
Catalog Number:
AG01A22T
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
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Product Description
Catalog Number:
AG01A22T
Chemical Name:
4-(2-methoxyethoxy)benzene-1-carbothioamide
CAS Number:
1016788-46-7
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD09942523
IUPAC Name:
4-(2-methoxyethoxy)benzenecarbothioamide
InChI:
InChI=1S/C10H13NO2S/c1-12-6-7-13-9-4-2-8(3-5-9)10(11)14/h2-5H,6-7H2,1H3,(H2,11,14)
InChI Key:
WJGCDDLUAUQRFJ-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)C(=S)N
Properties
Complexity:
179  
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:
5  
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties