Home Other Building Blocks 1-Naphthaleneethanethioamide

1-Naphthaleneethanethioamide

CAS No.:
17518-47-7
Catalog Number:
AG0020DU
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
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Product Description
Catalog Number:
AG0020DU
Chemical Name:
1-Naphthaleneethanethioamide
CAS Number:
17518-47-7
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD01743595
IUPAC Name:
2-naphthalen-1-ylethanethioamide
InChI:
InChI=1S/C12H11NS/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
InChI Key:
FUDCGMJJFOGQFO-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1cccc2c1cccc2
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties