(2-sulfanylnaphthalen-1-yl)methanol

C11H10OS — CID 14924201

IUPAC(2-sulfanylnaphthalen-1-yl)methanol
SMILESOCc1c(S)ccc2ccccc12
InChIInChI=1S/C11H10OS/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,12-13H,7H2
InChIKeyRXQPTRFKWBXZPR-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.62
Rot. Bonds1

About (2-sulfanylnaphthalen-1-yl)methanol

(2-sulfanylnaphthalen-1-yl)methanol (PubChem CID 14924201) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is (2-sulfanylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2-sulfanylnaphthalen-1-yl)methanol
PubChem CID14924201
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name(2-sulfanylnaphthalen-1-yl)methanol
SMILESOCc1c(S)ccc2ccccc12
InChIInChI=1S/C11H10OS/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,12-13H,7H2
InChIKeyRXQPTRFKWBXZPR-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-sulfanylnaphthalen-1-yl)methanol?
The IUPAC name of (2-sulfanylnaphthalen-1-yl)methanol (CID 14924201) is (2-sulfanylnaphthalen-1-yl)methanol.
What is the SMILES notation for (2-sulfanylnaphthalen-1-yl)methanol?
The canonical SMILES for (2-sulfanylnaphthalen-1-yl)methanol is OCc1c(S)ccc2ccccc12.
What is the InChIKey of (2-sulfanylnaphthalen-1-yl)methanol?
The InChIKey is RXQPTRFKWBXZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,12-13H,7H2.
What are the key properties of (2-sulfanylnaphthalen-1-yl)methanol?
(2-sulfanylnaphthalen-1-yl)methanol has a molecular weight of 190.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfanylnaphthalen-1-yl)methanol is sourced from PubChem (CID 14924201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).