(4-amino-3-sulfanylphenyl)methanol

C7H9NOS — CID 116994227

IUPAC(4-amino-3-sulfanylphenyl)methanol
SMILESNc1ccc(CO)cc1S
InChIInChI=1S/C7H9NOS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4,8H2
InChIKeyOHPCXQMZALIZIC-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.05
Rot. Bonds1

About (4-amino-3-sulfanylphenyl)methanol

(4-amino-3-sulfanylphenyl)methanol (PubChem CID 116994227) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (4-amino-3-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-sulfanylphenyl)methanol
PubChem CID116994227
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(4-amino-3-sulfanylphenyl)methanol
SMILESNc1ccc(CO)cc1S
InChIInChI=1S/C7H9NOS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4,8H2
InChIKeyOHPCXQMZALIZIC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-sulfanylphenyl)methanol?
The IUPAC name of (4-amino-3-sulfanylphenyl)methanol (CID 116994227) is (4-amino-3-sulfanylphenyl)methanol.
What is the SMILES notation for (4-amino-3-sulfanylphenyl)methanol?
The canonical SMILES for (4-amino-3-sulfanylphenyl)methanol is Nc1ccc(CO)cc1S.
What is the InChIKey of (4-amino-3-sulfanylphenyl)methanol?
The InChIKey is OHPCXQMZALIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,9-10H,4,8H2.
What are the key properties of (4-amino-3-sulfanylphenyl)methanol?
(4-amino-3-sulfanylphenyl)methanol has a molecular weight of 155.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-sulfanylphenyl)methanol is sourced from PubChem (CID 116994227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).