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21411-42-7 | 2,4,6-TRIMETHYLBENZYL MERCAPTAN
CAS No: 21411-42-7 Catalog No: AG003FNR MDL No:MFCD00173911
Product Description
Catalog Number:
AG003FNR
Chemical Name:
2,4,6-TRIMETHYLBENZYL MERCAPTAN
CAS Number:
21411-42-7
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
MDL Number:
MFCD00173911
IUPAC Name:
(2,4,6-trimethylphenyl)methanethiol
InChI:
InChI=1S/C10H14S/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
InChI Key:
LJZYEPXPMRRXTA-UHFFFAOYSA-N
SMILES:
SCc1c(C)cc(cc1C)C
NSC Number:
181935
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.282g/mol
Monoisotopic Mass:
166.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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