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820220-73-3 | 1H-Indole-1-carbodithioic acid, phenylmethyl ester
CAS No: 820220-73-3 Catalog No: AG004YFT MDL No:
Product Description
Catalog Number:
AG004YFT
Chemical Name:
1H-Indole-1-carbodithioic acid, phenylmethyl ester
CAS Number:
820220-73-3
Molecular Formula:
C16H13NS2
Molecular Weight:
283.4111
IUPAC Name:
benzyl indole-1-carbodithioate
InChI:
InChI=1S/C16H13NS2/c18-16(19-12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-11H,12H2
InChI Key:
RVBCISGUEHGLGV-UHFFFAOYSA-N
SMILES:
S=C(n1ccc2c1cccc2)SCc1ccccc1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.407g/mol
Monoisotopic Mass:
283.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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