2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane

C10H14O2S — CID 70599278

IUPAC2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
SMILESCC(C)(O)C(=O)c1ccccc1.S
InChIInChI=1S/C10H12O2.H2S/c1-10(2,12)9(11)8-6-4-3-5-7-8;/h3-7,12H,1-2H3;1H2
InChIKeyYXVKZQFSVJQNLH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.75
Rot. Bonds2

About 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane

2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane (PubChem CID 70599278) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
PubChem CID70599278
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
SMILESCC(C)(O)C(=O)c1ccccc1.S
InChIInChI=1S/C10H12O2.H2S/c1-10(2,12)9(11)8-6-4-3-5-7-8;/h3-7,12H,1-2H3;1H2
InChIKeyYXVKZQFSVJQNLH-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841
2-bromo-1-phenyl-2-sulfanylpropan-1-one
CID 23463078
3-hydroxy-3-methyl-1-phenylbutane-1,2-dione
CID 125490903
[[4-(2-hydroxy-2-methylpropanoyl)phenyl]-phenylmethyl] hypoiodite
CID 143790931
tert-butyl benzoate
CID 135038599

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane?
The IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane (CID 70599278) is 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane.
What is the SMILES notation for 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane?
The canonical SMILES for 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane is CC(C)(O)C(=O)c1ccccc1.S.
What is the InChIKey of 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane?
The InChIKey is YXVKZQFSVJQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.H2S/c1-10(2,12)9(11)8-6-4-3-5-7-8;/h3-7,12H,1-2H3;1H2.
What are the key properties of 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane?
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane has a molecular weight of 198.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane is sourced from PubChem (CID 70599278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).