(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol

C11H14OS — CID 10943381

IUPAC(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+
InChIKeyIBULIYJCADKZND-CMDGGOBGSA-N
MW194.30 g/mol
LogP3.06
Rot. Bonds3

About (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol

(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol (PubChem CID 10943381) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
PubChem CID10943381
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol
SMILESCC(C)(O)/C=C/Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+
InChIKeyIBULIYJCADKZND-CMDGGOBGSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-Phenylthiopropan-2-one
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(E)-Phenyl-1-propenylsulfide
CID 5373102
(E) 1-Phenylthio-1-butene
CID 5463005
2-Butanol, 1-(phenylthio)-
CID 580222
(z)-1-(Phenylthio)propene
CID 10964684
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
2-Methyl-3-phenylthiopropanol
CID 12573588
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol (CID 10943381) is (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol is CC(C)(O)/C=C/Sc1ccccc1.
What is the InChIKey of (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol?
The InChIKey is IBULIYJCADKZND-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-9,12H,1-2H3/b9-8+.
What are the key properties of (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol?
(E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol has a molecular weight of 194.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenylsulfanylbut-3-en-2-ol is sourced from PubChem (CID 10943381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).