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114646-79-6 | Carbamothioic acid, dimethyl-, S-(6-acetyl-2-naphthalenyl) ester (9CI)
CAS No: 114646-79-6 Catalog No: AG000EX7 MDL No:
Product Description
Catalog Number:
AG000EX7
Chemical Name:
Carbamothioic acid, dimethyl-, S-(6-acetyl-2-naphthalenyl) ester (9CI)
CAS Number:
114646-79-6
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
S-(6-acetylnaphthalen-2-yl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C15H15NO2S/c1-10(17)11-4-5-13-9-14(7-6-12(13)8-11)19-15(18)16(2)3/h4-9H,1-3H3
InChI Key:
BNAFHBIVRDUNHY-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Sc1ccc2c(c1)ccc(c2)C(=O)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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