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89375-31-5 | 1,2,3-Benzenetrithiol
CAS No: 89375-31-5 Catalog No: AG003WFN MDL No:
Product Description
Catalog Number:
AG003WFN
Chemical Name:
1,2,3-Benzenetrithiol
CAS Number:
89375-31-5
Molecular Formula:
C6H6S3
Molecular Weight:
174.3068
IUPAC Name:
benzene-1,2,3-trithiol
InChI:
InChI=1S/C6H6S3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
InChI Key:
PPQNMKIMOCEJIR-UHFFFAOYSA-N
SMILES:
Sc1c(S)cccc1S
Properties
Complexity:
84.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.294g/mol
Monoisotopic Mass:
173.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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