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70291-88-2 | 1H-Indole, 2,3-bis(phenylthio)-
CAS No: 70291-88-2 Catalog No: AG005KD7 MDL No:
Product Description
Catalog Number:
AG005KD7
Chemical Name:
1H-Indole, 2,3-bis(phenylthio)-
CAS Number:
70291-88-2
Molecular Formula:
C20H15NS2
Molecular Weight:
333.4698
IUPAC Name:
2,3-bis(phenylsulfanyl)-1H-indole
InChI:
InChI=1S/C20H15NS2/c1-3-9-15(10-4-1)22-19-17-13-7-8-14-18(17)21-20(19)23-16-11-5-2-6-12-16/h1-14,21H
InChI Key:
VTGTWUZPUJHVLP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1[nH]c2c(c1Sc1ccccc1)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.065g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.467g/mol
Monoisotopic Mass:
333.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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