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113402-30-5 | Benzenethiol, 4,4',4''-methylidynetris-
CAS No: 113402-30-5 Catalog No: AG0008GP MDL No:
Product Description
Catalog Number:
AG0008GP
Chemical Name:
Benzenethiol, 4,4',4''-methylidynetris-
CAS Number:
113402-30-5
Molecular Formula:
C19H16S3
Molecular Weight:
340.5253
IUPAC Name:
4-[bis(4-sulfanylphenyl)methyl]benzenethiol
InChI:
InChI=1S/C19H16S3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
InChI Key:
ZTJTVIASSJGMRX-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)C(c1ccc(cc1)S)c1ccc(cc1)S
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.517g/mol
Monoisotopic Mass:
340.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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