1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol

C14H11NOS — CID 122391572

IUPAC1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Sc1ccc[nH]1
InChIInChI=1S/C14H11NOS/c16-12-8-7-10-4-1-2-5-11(10)14(12)17-13-6-3-9-15-13/h1-9,15-16H
InChIKeyOTIBACFIENXKIG-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.02
Rot. Bonds2

About 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol

1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol (PubChem CID 122391572) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol
PubChem CID122391572
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Sc1ccc[nH]1
InChIInChI=1S/C14H11NOS/c16-12-8-7-10-4-1-2-5-11(10)14(12)17-13-6-3-9-15-13/h1-9,15-16H
InChIKeyOTIBACFIENXKIG-UHFFFAOYSA-N
XLogP4.02
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxynaphthalen-1-yl)sulfanyl-1H-indol-5-ol
CID 71578645
1-(3-chlorophenyl)sulfanylnaphthalen-2-ol
CID 172795300
1-(2,4-dimethylphenyl)sulfanylnaphthalen-2-ol
CID 163902949
1-[(7-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
CID 124519274
1-iodonaphthalen-2-ol
CID 16250
1-fluoronaphthalen-2-ol
CID 11094948
naphthalene-1,2-diol;naphthalene-1,4-diol
CID 157322625
3H-benzo[e]indol-1-ol
CID 69001321
3-hydroxy-1H-pyridin-2-one;naphthalene
CID 70567411
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
naphthalene;naphthalen-1-ol
CID 174561564
tetrakis(naphthalen-1-ol);titanium
CID 18400436

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol?
The IUPAC name of 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol (CID 122391572) is 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol?
The canonical SMILES for 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol is Oc1ccc2ccccc2c1Sc1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol?
The InChIKey is OTIBACFIENXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-12-8-7-10-4-1-2-5-11(10)14(12)17-13-6-3-9-15-13/h1-9,15-16H.
What are the key properties of 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol?
1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol has a molecular weight of 241.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-ylsulfanyl)naphthalen-2-ol is sourced from PubChem (CID 122391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).