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113525-32-9 | 2-Dibenzothiophenemethanethiol
CAS No: 113525-32-9 Catalog No: AG0008WN MDL No:
Product Description
Catalog Number:
AG0008WN
Chemical Name:
2-Dibenzothiophenemethanethiol
CAS Number:
113525-32-9
Molecular Formula:
C13H10S2
Molecular Weight:
230.3485
IUPAC Name:
dibenzothiophen-2-ylmethanethiol
InChI:
InChI=1S/C13H10S2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,14H,8H2
InChI Key:
YDJSLEHRZODJHW-UHFFFAOYSA-N
SMILES:
SCc1ccc2c(c1)c1ccccc1s2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.343g/mol
Monoisotopic Mass:
230.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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