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13963-35-4 | Benzene, 1-methyl-2-(phenylthio)-
CAS No: 13963-35-4 Catalog No: AG001BFA MDL No:MFCD00216265
Product Description
Catalog Number:
AG001BFA
Chemical Name:
Benzene, 1-methyl-2-(phenylthio)-
CAS Number:
13963-35-4
Molecular Formula:
C13H12S
Molecular Weight:
200.2994
MDL Number:
MFCD00216265
IUPAC Name:
1-methyl-2-phenylsulfanylbenzene
InChI:
InChI=1S/C13H12S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3
InChI Key:
KXCVWFIROSGRRF-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Sc1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.299g/mol
Monoisotopic Mass:
200.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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