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189514-24-7 | Benzenecarbothioic acid, anhydrosulfide with O-(benzoylazanyl) hydrogen carbonodithioate
CAS No: 189514-24-7 Catalog No: AG002DQ0 MDL No:
Product Description
Catalog Number:
AG002DQ0
Chemical Name:
Benzenecarbothioic acid, anhydrosulfide with O-(benzoylazanyl) hydrogen carbonodithioate
CAS Number:
189514-24-7
Molecular Formula:
C15H11NO3S2
Molecular Weight:
317.3827
IUPAC Name:
O-benzamido benzoylsulfanylmethanethioate
InChI:
InChI=1S/C15H11NO3S2/c17-13(11-7-3-1-4-8-11)16-19-15(20)21-14(18)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChI Key:
RAPBTKSLJXKEGZ-UHFFFAOYSA-N
SMILES:
S=C(SC(=O)c1ccccc1)ONC(=O)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.377g/mol
Monoisotopic Mass:
317.018g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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