6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine

C12H13NO2S — CID 142938237

IUPAC6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine
SMILESC=S(=O)(O)c1ccc2c(N)c(C)ccc2c1
InChIInChI=1S/C12H13NO2S/c1-8-3-4-9-7-10(16(2,14)15)5-6-11(9)12(8)13/h3-7H,2,13H2,1H3,(H,14,15)
InChIKeyVSSCUVHAACMQAU-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.28
Rot. Bonds1

About 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine

6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine (PubChem CID 142938237) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine.

Molecular Properties

Compound Name6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine
PubChem CID142938237
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine
SMILESC=S(=O)(O)c1ccc2c(N)c(C)ccc2c1
InChIInChI=1S/C12H13NO2S/c1-8-3-4-9-7-10(16(2,14)15)5-6-11(9)12(8)13/h3-7H,2,13H2,1H3,(H,14,15)
InChIKeyVSSCUVHAACMQAU-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-methylnaphthalene-2-sulfonic acid
CID 66519781
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
5-amino-6-ethoxynaphthalene-2-sulfonamide
CID 154105512
7-amino-4-methylnaphthalene-2-sulfonic acid;ethane
CID 144520469
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
CID 57310744
3-amino-4-methyl-2-sulfanylbenzenesulfonic acid
CID 20504766
5-[(3-amino-4-methylbenzoyl)amino]-6-hydroxynaphthalene-2-sulfonic acid
CID 23348120
7-(hydroxy-methylidene-oxo-λ6-sulfanyl)-4-(2-oxopropoxy)naphthalene-2-sulfonic acid
CID 143443540
6-hydroxy-2-methylnaphthalene-1-sulfonic acid
CID 147399742
naphthalene-2,3,6-trisulfonic acid
CID 42609669
sodium 5-amino-6-ethoxynaphthalene-2-sulfonate
CID 23690152
6-amino-5-[[4-(4-amino-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10478742

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine?
The IUPAC name of 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine (CID 142938237) is 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine.
What is the SMILES notation for 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine?
The canonical SMILES for 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine is C=S(=O)(O)c1ccc2c(N)c(C)ccc2c1.
What is the InChIKey of 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine?
The InChIKey is VSSCUVHAACMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-3-4-9-7-10(16(2,14)15)5-6-11(9)12(8)13/h3-7H,2,13H2,1H3,(H,14,15).
What are the key properties of 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine?
6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxy-methylidene-oxo-λ6-sulfanyl)-2-methylnaphthalen-1-amine is sourced from PubChem (CID 142938237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).