(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol

C10H12OS — CID 130130727

IUPAC(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol
SMILESCc1ccccc1S/C=C/CO
InChIInChI=1S/C10H12OS/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-6,8,11H,7H2,1H3/b8-4+
InChIKeyPMLMVQGZBYVTGO-XBXARRHUSA-N
MW180.27 g/mol
LogP2.59
Rot. Bonds3

About (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol

(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol (PubChem CID 130130727) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol
PubChem CID130130727
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol
SMILESCc1ccccc1S/C=C/CO
InChIInChI=1S/C10H12OS/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-6,8,11H,7H2,1H3/b8-4+
InChIKeyPMLMVQGZBYVTGO-XBXARRHUSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol?
The IUPAC name of (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol (CID 130130727) is (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol is Cc1ccccc1S/C=C/CO.
What is the InChIKey of (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol?
The InChIKey is PMLMVQGZBYVTGO-XBXARRHUSA-N. The full InChI is InChI=1S/C10H12OS/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-6,8,11H,7H2,1H3/b8-4+.
What are the key properties of (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol?
(E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol has a molecular weight of 180.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)sulfanylprop-2-en-1-ol is sourced from PubChem (CID 130130727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).