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38360-81-5 | 3,5-Dimethylbenzenethiol
CAS No: 38360-81-5 Catalog No: AG003IOR MDL No:MFCD00040226
Product Description
Catalog Number:
AG003IOR
Chemical Name:
3,5-Dimethylbenzenethiol
CAS Number:
38360-81-5
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00040226
IUPAC Name:
3,5-dimethylbenzenethiol
InChI:
InChI=1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChI Key:
CESBAYSBPMVAEI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)S
UNII:
U18S77737Q
Properties
Complexity:
80.6
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:
2.9
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