[4-(ethenylsulfanylmethyl)phenyl]methanol

C10H12OS — CID 156700427

IUPAC[4-(ethenylsulfanylmethyl)phenyl]methanol
SMILESC=CSCc1ccc(CO)cc1
InChIInChI=1S/C10H12OS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h2-6,11H,1,7-8H2
InChIKeyNAMUGIMXPQKDAD-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.56
Rot. Bonds4

About [4-(ethenylsulfanylmethyl)phenyl]methanol

[4-(ethenylsulfanylmethyl)phenyl]methanol (PubChem CID 156700427) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is [4-(ethenylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(ethenylsulfanylmethyl)phenyl]methanol
PubChem CID156700427
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name[4-(ethenylsulfanylmethyl)phenyl]methanol
SMILESC=CSCc1ccc(CO)cc1
InChIInChI=1S/C10H12OS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h2-6,11H,1,7-8H2
InChIKeyNAMUGIMXPQKDAD-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(ethenylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(ethenylsulfanylmethyl)phenyl]methanol (CID 156700427) is [4-(ethenylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(ethenylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(ethenylsulfanylmethyl)phenyl]methanol is C=CSCc1ccc(CO)cc1.
What is the InChIKey of [4-(ethenylsulfanylmethyl)phenyl]methanol?
The InChIKey is NAMUGIMXPQKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-2-12-8-10-5-3-9(7-11)4-6-10/h2-6,11H,1,7-8H2.
What are the key properties of [4-(ethenylsulfanylmethyl)phenyl]methanol?
[4-(ethenylsulfanylmethyl)phenyl]methanol has a molecular weight of 180.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethenylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 156700427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).