2-amino-6-sulfanylnaphthalen-1-ol

C10H9NOS — CID 89277035

IUPAC2-amino-6-sulfanylnaphthalen-1-ol
SMILESNc1ccc2cc(S)ccc2c1O
InChIInChI=1S/C10H9NOS/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1-5,12-13H,11H2
InChIKeyZTCXWWPSTSEODH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.42
Rot. Bonds

About 2-amino-6-sulfanylnaphthalen-1-ol

2-amino-6-sulfanylnaphthalen-1-ol (PubChem CID 89277035) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-amino-6-sulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name2-amino-6-sulfanylnaphthalen-1-ol
PubChem CID89277035
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-amino-6-sulfanylnaphthalen-1-ol
SMILESNc1ccc2cc(S)ccc2c1O
InChIInChI=1S/C10H9NOS/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1-5,12-13H,11H2
InChIKeyZTCXWWPSTSEODH-UHFFFAOYSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Amino-4-hydroxy-2-naphthalenesulfonic acid
CID 6868
2-Amino-8-hydroxynaphthalene-6-sulfonic acid
CID 7022
7-Amino-1-naphthol
CID 40116
6-Aminonaphthol
CID 90295
1-Naphthalenol, 2-amino-, hydrochloride (1:1)
CID 12999318
2-Amino-1-naphthalenol
CID 39038
3-Amino-5,6,7,8-tetrahydro-2-naphthol
CID 4361367
3-Amino-2-naphthol
CID 79449
2-Naphthalenediazonium, 1-hydroxy-5-sulfo-
CID 75869
6-Amino-7-hydroxynaphthalene-2-sulfonic acid
CID 80810
2-Naphthol, 7-amino-, hydrochloride
CID 40115
6-Amino-4-hydroxy-2-naphthalenesulfonic acid monohydrate
CID 16211852

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-sulfanylnaphthalen-1-ol?
The IUPAC name of 2-amino-6-sulfanylnaphthalen-1-ol (CID 89277035) is 2-amino-6-sulfanylnaphthalen-1-ol.
What is the SMILES notation for 2-amino-6-sulfanylnaphthalen-1-ol?
The canonical SMILES for 2-amino-6-sulfanylnaphthalen-1-ol is Nc1ccc2cc(S)ccc2c1O.
What is the InChIKey of 2-amino-6-sulfanylnaphthalen-1-ol?
The InChIKey is ZTCXWWPSTSEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c11-9-4-1-6-5-7(13)2-3-8(6)10(9)12/h1-5,12-13H,11H2.
What are the key properties of 2-amino-6-sulfanylnaphthalen-1-ol?
2-amino-6-sulfanylnaphthalen-1-ol has a molecular weight of 191.26 g/mol, XLogP of 2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-sulfanylnaphthalen-1-ol is sourced from PubChem (CID 89277035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).