(4-aminophenyl)-sulfanylmethanol

C7H9NOS — CID 144898158

IUPAC(4-aminophenyl)-sulfanylmethanol
SMILESNc1ccc(C(O)S)cc1
InChIInChI=1S/C7H9NOS/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7,9-10H,8H2
InChIKeyNNARIUMBODEHAM-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.19
Rot. Bonds1

About (4-aminophenyl)-sulfanylmethanol

(4-aminophenyl)-sulfanylmethanol (PubChem CID 144898158) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (4-aminophenyl)-sulfanylmethanol.

Molecular Properties

Compound Name(4-aminophenyl)-sulfanylmethanol
PubChem CID144898158
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(4-aminophenyl)-sulfanylmethanol
SMILESNc1ccc(C(O)S)cc1
InChIInChI=1S/C7H9NOS/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7,9-10H,8H2
InChIKeyNNARIUMBODEHAM-UHFFFAOYSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-aminophenyl)prop-2-en-1-ol
CID 146269207
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]azanium
CID 137333878
(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol
CID 163513672
2,4-bis(4-aminophenyl)-1,1,1,5,5,5-hexafluoropentan-3-one
CID 151270804
S-[3-(4-aminophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821430
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-sulfanylmethanol?
The IUPAC name of (4-aminophenyl)-sulfanylmethanol (CID 144898158) is (4-aminophenyl)-sulfanylmethanol.
What is the SMILES notation for (4-aminophenyl)-sulfanylmethanol?
The canonical SMILES for (4-aminophenyl)-sulfanylmethanol is Nc1ccc(C(O)S)cc1.
What is the InChIKey of (4-aminophenyl)-sulfanylmethanol?
The InChIKey is NNARIUMBODEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c8-6-3-1-5(2-4-6)7(9)10/h1-4,7,9-10H,8H2.
What are the key properties of (4-aminophenyl)-sulfanylmethanol?
(4-aminophenyl)-sulfanylmethanol has a molecular weight of 155.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-sulfanylmethanol is sourced from PubChem (CID 144898158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).