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1833-12-1 | Benzenethiol, 3-(phenylthio)-
CAS No: 1833-12-1 Catalog No: AG0027HQ MDL No:
Product Description
Catalog Number:
AG0027HQ
Chemical Name:
Benzenethiol, 3-(phenylthio)-
CAS Number:
1833-12-1
Molecular Formula:
C12H10S2
Molecular Weight:
218.3378
IUPAC Name:
3-phenylsulfanylbenzenethiol
InChI:
InChI=1S/C12H10S2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
InChI Key:
CASHBDPXJJBIAK-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)Sc1ccccc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.332g/mol
Monoisotopic Mass:
218.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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