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90927-69-8 | 2-(butan-2-yl)benzenethiol
CAS No: 90927-69-8 Catalog No: AG006GF7 MDL No:
Product Description
Catalog Number:
AG006GF7
Chemical Name:
2-(butan-2-yl)benzenethiol
CAS Number:
90927-69-8
Molecular Formula:
C10H14S
Molecular Weight:
166.2832
IUPAC Name:
2-butan-2-ylbenzenethiol
InChI:
InChI=1S/C10H14S/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChI Key:
LYJBNJHMJBVLHD-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1S)C
NSC Number:
47205
Properties
Complexity:
111
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:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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