3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol

C15H17NOS — CID 146132640

IUPAC3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol
SMILESCN(C)c1ccccc1CSc1cccc(O)c1
InChIInChI=1S/C15H17NOS/c1-16(2)15-9-4-3-6-12(15)11-18-14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeyYSTVNUOTBVDZAS-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.75
Rot. Bonds4

About 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol

3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol (PubChem CID 146132640) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol
PubChem CID146132640
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol
SMILESCN(C)c1ccccc1CSc1cccc(O)c1
InChIInChI=1S/C15H17NOS/c1-16(2)15-9-4-3-6-12(15)11-18-14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKeyYSTVNUOTBVDZAS-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
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2-(cyclopropylmethyl)-N,N-dimethylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol?
The IUPAC name of 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol (CID 146132640) is 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol is CN(C)c1ccccc1CSc1cccc(O)c1.
What is the InChIKey of 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol?
The InChIKey is YSTVNUOTBVDZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-16(2)15-9-4-3-6-12(15)11-18-14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol?
3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol has a molecular weight of 259.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 146132640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).