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13616-82-5 | 2,4-Dimethylbenzenethiol
CAS No: 13616-82-5 Catalog No: AG0032ZQ MDL No:MFCD00010019
Product Description
Catalog Number:
AG0032ZQ
Chemical Name:
2,4-Dimethylbenzenethiol
CAS Number:
13616-82-5
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00010019
IUPAC Name:
2,4-dimethylbenzenethiol
InChI:
InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChI Key:
AMNLXDDJGGTIPL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)S
EC Number:
237-100-0
UNII:
WUI5ZA7FV3
NSC Number:
202925
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Tris(2,4-dimethyl-benzene-thiol-ato)phenyl-tin(IV). | Acta crystallographica. Section E, Structure reports online 20101101 |
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