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538-74-9 | Dibenzylsulfane
CAS No: 538-74-9 Catalog No: AG003PBX MDL No:MFCD00004784
Product Description
Catalog Number:
AG003PBX
Chemical Name:
Dibenzylsulfane
CAS Number:
538-74-9
Molecular Formula:
C14H14S
Molecular Weight:
214.3260
MDL Number:
MFCD00004784
IUPAC Name:
benzylsulfanylmethylbenzene
InChI:
InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
LUFPJJNWMYZRQE-UHFFFAOYSA-N
SMILES:
S(Cc1ccccc1)Cc1ccccc1
EC Number:
208-703-6
UNII:
Q08048624M
UN Number:
3335
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.326g/mol
Monoisotopic Mass:
214.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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