Home Other Building Blocks 6-methoxynaphthalene-2-carbothioamide

6-methoxynaphthalene-2-carbothioamide

CAS No.:
926234-18-6
Catalog Number:
AG00VUMD
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
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Product Description
Catalog Number:
AG00VUMD
Chemical Name:
6-methoxynaphthalene-2-carbothioamide
CAS Number:
926234-18-6
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD09047385
IUPAC Name:
6-methoxynaphthalene-2-carbothioamide
InChI:
InChI=1S/C12H11NOS/c1-14-11-5-4-8-6-10(12(13)15)3-2-9(8)7-11/h2-7H,1H3,(H2,13,15)
InChI Key:
SZNBNJFTZHUGPB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C(=S)N
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties