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17709-95-4 | Benzeneethanethioamide, N,N-dimethyl-
CAS No: 17709-95-4 Catalog No: AG00253X MDL No:MFCD00051943
Product Description
Catalog Number:
AG00253X
Chemical Name:
Benzeneethanethioamide, N,N-dimethyl-
CAS Number:
17709-95-4
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD00051943
IUPAC Name:
N,N-dimethyl-2-phenylethanethioamide
InChI:
InChI=1S/C10H13NS/c1-11(2)10(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
WLOKDAWGDBJTFR-UHFFFAOYSA-N
SMILES:
CN(C(=S)Cc1ccccc1)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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