(E)-4-phenylsulfanylbut-3-en-1-ol

C10H12OS — CID 10821256

IUPAC(E)-4-phenylsulfanylbut-3-en-1-ol
SMILESOCC/C=C/Sc1ccccc1
InChIInChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2/b9-5+
InChIKeyPWXMYZKZMIDKGY-WEVVVXLNSA-N
MW180.27 g/mol
LogP2.67
Rot. Bonds4

About (E)-4-phenylsulfanylbut-3-en-1-ol

(E)-4-phenylsulfanylbut-3-en-1-ol (PubChem CID 10821256) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (E)-4-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-phenylsulfanylbut-3-en-1-ol
PubChem CID10821256
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(E)-4-phenylsulfanylbut-3-en-1-ol
SMILESOCC/C=C/Sc1ccccc1
InChIInChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2/b9-5+
InChIKeyPWXMYZKZMIDKGY-WEVVVXLNSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of (E)-4-phenylsulfanylbut-3-en-1-ol (CID 10821256) is (E)-4-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for (E)-4-phenylsulfanylbut-3-en-1-ol is OCC/C=C/Sc1ccccc1.
What is the InChIKey of (E)-4-phenylsulfanylbut-3-en-1-ol?
The InChIKey is PWXMYZKZMIDKGY-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2/b9-5+.
What are the key properties of (E)-4-phenylsulfanylbut-3-en-1-ol?
(E)-4-phenylsulfanylbut-3-en-1-ol has a molecular weight of 180.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 10821256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).